SCHEMBL18832658

SCHEMBL18832658

Cc1cccc(CCOc2cc(C(=O)NC3(OC(=O)O)Cc4ccccc4C3)ccc2C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.58
▸ SCN9A Q15858 1/20 0.38
▸ GPR132 Q9UNW8 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ PGGT1B P53609 1/20 0.35
▸ CASR P41180 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34

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
SCHEMBL1560521 0.88 LPAR1 (0.74) LPAR1SCN9AGPR132
SCHEMBL18832675 0.87 LPAR1 (0.61) LPAR1GPR132NR1H4NPC1RAB9A
SCHEMBL18832654 0.87 LPAR1 (0.63) LPAR1NPC1RAB9A
SCHEMBL18832662 0.86 LPAR1 (0.60) LPAR1GPR132ALDH1A1NR1H4NPC1
SCHEMBL18832661 0.86 LPAR1 (0.60) LPAR1ALDH1A1
SCHEMBL18832657 0.86 LPAR1 (0.79) LPAR1GPR132NR1H4NPC1RAB9A
SCHEMBL18832664 0.85 LPAR1 (0.58) LPAR1GPR132MRGPRX4HPGDNR1H4
SCHEMBL18832677 0.83 LPAR1 (0.51) LPAR1SCN9ANPC1RAB9A
SCHEMBL18832666 0.82 LPAR1 (0.53) LPAR1GPR132NPC1RAB9ACYP1A2
SCHEMBL18832656 0.82 LPAR1 (0.54) LPAR1SCN9AGPR132

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-2303270-B1 ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-05-17 — — EP claimed
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