SCHEMBL31125927

SCHEMBL31125927

O=C([O-])CCCCCCCCCNC(=O)c1ccccc1[O-].[Na+].[Na+]

nearest known ligand 0.54

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 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 known ✓ P09917 1/20 0.49
▸ NAAA Q02083 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ HDAC3 O15379 7/20 0.44
▸ HDAC1 Q13547 6/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL2331877 0.85 NAAA (0.67) ALOX5NAAATSHRHTTALDH1A1
Salcaprozic Acid SCHEMBL825599 0.85 NAAA (0.67) ALOX5NAAATSHRHTTALDH1A1
Salcaprozic Acid SCHEMBL20511604 0.85 NAAA (0.67) ALOX5NAAATSHRHTTALDH1A1
SCHEMBL253212 0.85 NAAA (0.67) ALOX5NAAATSHRHTTALDH1A1
Salcaprozic Acid SCHEMBL29509907 0.85 NAAA (0.67) ALOX5NAAATSHRHTTALDH1A1
Salcaprozic Acid SCHEMBL26908047 0.82 NAAA (0.67) ALOX5NAAATSHRHTTALDH1A1
SCHEMBL29847332 0.81 CDK1 (0.49) HDAC3HDAC1HDAC4HDAC7HDAC2
Alcohol SCHEMBL2331970 0.81 NAAA (0.68) ALOX5NAAATSHRHTTALDH1A1
SCHEMBL16456496 0.79 ALOX5 (0.56) ALOX5NAAAHDAC3HDAC1HDAC4
SCHEMBL4956771 0.79 TSHR (0.61) ALOX5NAAATSHRHTTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688654-A1 PROCESS FOR PRODUCING A PRECIPITATED SILICA FROM PLANT ASHES, PRECIPITATED SILICA AND ITS USE IN TIRE APPLICATIONS RHODIA OPERATIONS (FR) 2026-02-11 — — EP disclosed
EP-4688655-A1 PROCESS FOR PRODUCING A PRECIPITATED SILICA CONTAINING MANGANESE FROM PLANT ASHES, PRECIPITATED SILICA AND ITS USE IN TIRE APPLICATIONS RHODIA OPERATIONS (FR) 2026-02-11 — — EP disclosed
US-20250382187-A1 Process for Producing a Precipitated Silica Containing Manganese from Plant Ashes, Precipitated Silica and Its Use in Tire Applications RHODIA OPERATIONS (FR) 2025-12-18 — — US disclosed
WO-2024200694-A1 PROCESS FOR PRODUCING A PRECIPITATED SILICA CONTAINING MANGANESE FROM PLANT ASHES, PRECIPITATED SILICA AND ITS USE IN TIRE APPLICATIONS RHODIA OPERATIONS (FR) 2024-10-03 — — WO disclosed
WO-2024200693-A1 PROCESS FOR PRODUCING A PRECIPITATED SILICA FROM PLANT ASHES, PRECIPITATED SILICA AND ITS USE IN TIRE APPLICATIONS RHODIA OPERATIONS (FR) 2024-10-03 — — WO disclosed
Send feedback