SCHEMBL18832679

SCHEMBL18832679

COc1ccc(C(=O)NC2(OC(=O)O)Cc3ccccc3C2)cc1CCCc1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.48
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 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
SCHEMBL1560342 0.88 LPAR1 (0.62) LPAR1NPC1RAB9ANAMPT
SCHEMBL18832654 0.86 LPAR1 (0.63) LPAR1NPC1RAB9AACHEHDAC1
SCHEMBL18832673 0.85 LPAR1 (0.51) LPAR1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL18832668 0.85 LPAR1 (0.46) LPAR1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL18832675 0.81 LPAR1 (0.61) LPAR1HSP90AA1HSP90AB1NPC1RAB9A
SCHEMBL18832678 0.80 LPAR1 (0.63) LPAR1NPC1RAB9ALMNAACHE
SCHEMBL18832661 0.80 LPAR1 (0.60) LPAR1LMNASMN1; SMN2POLB
SCHEMBL1561248 0.80 LPAR1 (0.51) LPAR1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1811720 0.79 LPAR1 (0.60) LPAR1
SCHEMBL18832674 0.79 LPAR1 (0.60) LPAR1NPC1RAB9ALMNAACHE

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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