SCHEMBL18832660

SCHEMBL18832660

COc1ccc(C(=O)NC2(OC(=O)O)Cc3ccc(F)cc3C2)cc1OCCc1cccc(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.59
▸ PDE4D Q08499 2/20 0.40
▸ SCD O00767 1/20 0.40
▸ SMPD1 P17405 4/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CXCR5 P32302 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37

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
SCHEMBL18832654 0.92 LPAR1 (0.63) LPAR1PDE4DSMPD1HDAC1HDAC8
SCHEMBL18832678 0.91 LPAR1 (0.63) LPAR1PDE4DSMPD1HDAC1HDAC8
SCHEMBL1561397 0.90 LPAR1 (0.69) LPAR1PDE4DSCDSMPD1HDAC1
SCHEMBL18832674 0.88 LPAR1 (0.60) LPAR1PDE4DSMPD1HDAC1HDAC8
SCHEMBL18832665 0.86 LPAR1 (0.58) LPAR1PDE4DSMPD1HDAC1HDAC8
SCHEMBL18832661 0.84 LPAR1 (0.60) LPAR1CXCR5
SCHEMBL18832655 0.83 LPAR1 (0.53) LPAR1PDE4DSMPD1HDAC1HDAC8
SCHEMBL18832667 0.82 LPAR1 (0.53) LPAR1MEN1KMT2A
SCHEMBL18832675 0.82 LPAR1 (0.61) LPAR1NPC1RAB9AMEN1KMT2A
Fipaxalparant SCHEMBL29398637 0.81 LPAR1 (0.78) LPAR1PDE4DSMPD1HDAC1HDAC8

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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