SCHEMBL18832677

SCHEMBL18832677

COc1ccc(C(=O)NC2(OC(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.51
▸ GAA P10253 1/20 0.43
▸ F10 P00742 2/20 0.42
▸ SMPD1 P17405 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.39
▸ TSHR P16473 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
SCHEMBL1561434 0.88 LPAR1 (0.61) LPAR1GAAF10SMPD1HDAC1
SCHEMBL18832655 0.88 LPAR1 (0.53) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832654 0.88 LPAR1 (0.63) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL1560217 0.87 LPAR1 (0.54) LPAR1GAAF10SMPD1HDAC1
SCHEMBL18832670 0.83 LPAR1 (0.49) LPAR1GAASMPD1HDAC1HDAC8
SCHEMBL18832658 0.83 LPAR1 (0.58) LPAR1NPC1RAB9ASCN9A
SCHEMBL18832678 0.82 LPAR1 (0.63) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832674 0.81 LPAR1 (0.60) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832661 0.81 LPAR1 (0.60) LPAR1GAA
SCHEMBL18832660 0.81 LPAR1 (0.59) LPAR1SMPD1HDAC1HDAC8HDAC6

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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