SCHEMBL9395351

SCHEMBL9395351

CC(OCCOc1ccc(C(C)(C)CC(C)(C)C)cc1)OC(C)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.49

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 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 known ✓ P04150 1/20 0.40
▸ ADORA3 known ✓ P0DMS8 1/20 0.40
▸ PTGS1 known ✓ P23219 1/20 0.40
▸ PDE4A known ✓ P27815 1/20 0.40
▸ PDE4D known ✓ Q08499 1/20 0.40
▸ THRB known ✓ P10828 1/20 0.33
▸ CYP3A4 P08684 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HIF1A Q16665 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ USP2 O75604 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ERBB2 P04626 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ FYN P06241 2/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ CHRM4 P08173 2/20 0.40

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
SCHEMBL8506133 0.90 CYP3A4 (0.54) CYP3A4SMN1; SMN2HIF1AMEN1KMT2A
Potassium Ion SCHEMBL4542321 0.88 CYP3A4 (0.54) CYP3A4SMN1; SMN2HIF1AMEN1KMT2A
SCHEMBL8506124 0.84 CYP3A4 (0.41) CYP3A4SMN1; SMN2HIF1AMEN1KMT2A
Potassium Ion SCHEMBL4542314 0.81 CYP3A4 (0.41) CYP3A4SMN1; SMN2HIF1AMEN1KMT2A
SCHEMBL8679414 0.78 CYP3A4 (0.57) CYP3A4SMN1; SMN2HIF1AMEN1KMT2A
SCHEMBL14685191 0.78 CYP3A4 (0.64) CYP3A4SMN1; SMN2HIF1AMEN1KMT2A
SCHEMBL15737711 0.77 CYP3A4 (0.59) CYP3A4SMN1; SMN2HIF1AMEN1KMT2A
SCHEMBL29167471 0.75 CYP3A4 (0.60) CYP3A4SMN1; SMN2HIF1AMEN1KMT2A
SCHEMBL9632640 0.75 CYP3A4 (0.60) CYP3A4SMN1; SMN2HIF1AMEN1KMT2A
SCHEMBL28121417 0.75 SMN1; SMN2 (0.65) CYP3A4SMN1; SMN2HIF1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288059-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1994-02-23 — — EP disclosed
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