SCHEMBL8994427

SCHEMBL8994427

O=S(=O)([O-])c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)[O-])cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)[O-])cc4)c4nc(c(-c5ccc(S(=O)(=O)[O-])cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.70

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.70
▸ TERT O14746 5/20 0.67
▸ TOP1 P11387 4/20 0.56
▸ CYCS P99999 3/20 0.55
▸ ABCG2 Q9UNQ0 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Tetraphenylporphine Tetrasulfonic Acid SCHEMBL30826425 0.98 ENPP2 (0.73) ENPP2TERTTOP1CYCSABCG2
Water SCHEMBL8810288 0.98 ENPP2 (0.68) ENPP2TERTTOP1CYCSABCG2
SCHEMBL11527331 0.98 ENPP2 (0.68) ENPP2TERTTOP1CYCSABCG2
Zinc Ion SCHEMBL11569891 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL5051415 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL23706379 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL6139711 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL498417 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2
SCHEMBL9267975 0.97 TERT (0.71) ENPP2TERTTOP1CYCSABCG2
SCHEMBL2334465 0.97 ENPP2 (0.70) ENPP2TERTTOP1CYCSABCG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140300857-A1 OPHTHALMIC FILTER ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQU E) (FR) 2014-10-09 — — US claimed
WO-2013084177-A1 OPHTHALMIC FILTER Essilor International (Compagnie Générale d'Optique) (FR) 2013-06-13 — — WO claimed
EP-2602654-A1 Ophthalmic filter Essilor International (Compagnie Générale D'Optique) (FR) 2013-06-12 — — EP claimed
EP-3371645-B1 OPTICAL ARTICLE PROTECTING FROM BLUE LIGHT ESSILOR INT (FR) 2025-10-29 — — EP disclosed
EP-3807713-B1 COLOR-BALANCED LENSES EXHIBITING REDUCED BLUE LIGHT TRANSMITTANCE ESSILOR INT (FR) 2025-08-06 — — EP disclosed
EP-3087312-B1 HEAD-MOUNTED DISPLAY WITH FILTER FUNCTION ESSILOR INT (FR) 2024-09-11 — — EP disclosed
US-12019316-B2 Color-balanced lenses exhibiting reduced blue light transmittance ESSILOR INTERNATIONAL (FR) 2024-06-25 — — US disclosed
EP-3296799-B1 OPTICAL ARTICLE WITH BLUE CUT, HIGH UV CUT AND HIGH CLARITY ESSILOR INT (FR) 2024-05-22 — — EP disclosed
EP-2602655-B1 Ophthalmic filter ESSILOR INT (FR) 2024-04-03 — — EP disclosed
CN-117003928-A Composition for manufacturing an ophthalmic lens comprising an encapsulated light absorbing additive 依视路国际公司 2023-11-07 — — CN disclosed
CN-111433637-B Composition for manufacturing an ophthalmic lens comprising an encapsulated light absorbing additive 依视路国际公司 2023-11-03 — — CN disclosed
WO-2013084178-A1 OPHTHALMIC FILTER Essilor International (Compagnie Générale d'Optique) (FR) 2013-06-13 — — WO disclosed
WO-2013084176-A1 METHOD OF DETERMINING THE CONFIGURATION OF AN OPHTHALMIC FILTER Essilor International (Compagnie Générale d'Optique) (FR) 2013-06-13 — — WO disclosed
WO-2013084177-A1 OPHTHALMIC FILTER Essilor International (Compagnie Générale d'Optique) (FR) 2013-06-13 — — WO disclosed
EP-2602653-A1 Method of determining the configuration of an ophthalmic filter Essilor International (Compagnie Générale D'Optique) (FR) 2013-06-12 — — EP disclosed
EP-2602654-A1 Ophthalmic filter Essilor International (Compagnie Générale D'Optique) (FR) 2013-06-12 — — EP disclosed
EP-2602655-A1 Ophthalmic filter Essilor International (Compagnie Générale D'Optique) (FR) 2013-06-12 — — EP disclosed
EP-0501515-B1 Optical recording material TORAY INDUSTRIES (JP) 1996-08-21 — — EP disclosed
US-5306599-A Optical recording material TORAY INDUSTRIES, INC. (JP) 1994-04-26 — — US disclosed
EP-0501515-A1 Optical recording material TORAY INDUSTRIES, INC. (JP) 1992-09-02 — — EP disclosed
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