SCHEMBL8767356

SCHEMBL8767356

COC(=O)c1ccc(NC(=O)C(C)c2cccc(OCCCCOc3ccccc3)c2)c(CC(=O)OC(C)(C)C)c1.O=C(O)CCc1ccc(OCCCCOc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 4/20 0.41
▸ FFAR1 O14842 7/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PLA2G4B P0C869 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ PLA2G4A P47712 1/20 0.35

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
SCHEMBL8418614 0.93 ALDH1A1 (0.41) LNPEPALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8767361 0.87 FFAR1 (0.45) LNPEPFFAR1ALDH1A1CYP1A2CYP3A4
SCHEMBL8418609 0.78 CA12 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8768505 0.76 FFAR1 (0.44) FFAR1PLA2G4B
SCHEMBL8420268 0.75 MEN1 (0.46) LNPEPALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8418915 0.75 HTT (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8422578 0.74 CYP1A2 (0.43) LNPEPALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8422536 0.72 HTT (0.46) CA12CA1CA2CA4CA9
SCHEMBL8422462 0.71 L3MBTL1 (0.45) CA12CA1CA2CA4CA9
SCHEMBL8422576 0.70 AKR1C2 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 — — EP disclosed
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