SCHEMBL18874194

SCHEMBL18874194

COc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1cc(Cl)ccc1F

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 2/20 0.60
▸ KMT2A Q03164 1/20 0.43
▸ MPI P34949 1/20 0.43
▸ F10 P00742 6/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1561337 0.86 LPAR1 (0.78) LPAR1MPIF10
SCHEMBL18874315 0.81 LMNA (0.42) LPAR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18874338 0.80 LPAR1 (0.47) LPAR1NPC1RAB9A
SCHEMBL18874210 0.80 MPI (0.41) LPAR1MPIF10GRM4
SCHEMBL18874043 0.79 LPAR1 (0.48) LPAR1NPC1RAB9A
SCHEMBL1561323 0.79 LPAR1 (0.67) LPAR1F10
SCHEMBL18874186 0.78 LPAR1 (0.49) LPAR1NPC1RAB9A
SCHEMBL18873947 0.78 LPAR1 (0.47) LPAR1KMT2ANPC1RAB9A
SCHEMBL18874173 0.77 LPAR1 (0.46) LPAR1NPC1RAB9A
SCHEMBL18874419 0.77 HPGD (0.39) LPAR1KDM4EALDH1A1NPC1RAB9A

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 disclosed
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