SCHEMBL18832665

SCHEMBL18832665

COc1ccc(C(=O)NC2(OC(=O)O)Cc3ccsc3C2)cc1OCCc1cccc(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.58
▸ ACHE P22303 1/20 0.40
▸ SMPD1 P17405 4/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE4D Q08499 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 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
SCHEMBL18832654 0.90 LPAR1 (0.63) LPAR1ACHESMPD1HDAC1HDAC8
SCHEMBL18832674 0.90 LPAR1 (0.60) LPAR1ACHESMPD1HDAC1HDAC8
SCHEMBL18832678 0.89 LPAR1 (0.63) LPAR1ACHESMPD1HDAC1HDAC8
SCHEMBL1561250 0.87 LPAR1 (0.68) LPAR1ACHESMPD1HDAC1HDAC8
SCHEMBL18832660 0.86 LPAR1 (0.59) LPAR1ACHESMPD1HDAC1HDAC8
SCHEMBL18832661 0.83 LPAR1 (0.60) LPAR1ALDH1A1LMNAMAPT
SCHEMBL18832655 0.82 LPAR1 (0.53) LPAR1SMPD1HDAC1HDAC8HDAC6
SCHEMBL18832675 0.80 LPAR1 (0.61) LPAR1NOX1NPC1RAB9AMEN1
SCHEMBL18832662 0.79 LPAR1 (0.60) LPAR1NPC1RAB9AALDH1A1LMNA
SCHEMBL18832677 0.79 LPAR1 (0.51) 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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