SCHEMBL18874045

SCHEMBL18874045

Cc1cccc(CCOc2cc(NC3(C(=O)O)Cc4ccccc4C3)ccc2C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ CXCR5 P32302 5/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL18874189 0.88 LPAR1 (0.58) LPAR1SIRT2CXCR5NPC1RAB9A
SCHEMBL18874159 0.87 LPAR1 (0.57) LPAR1SIRT2CXCR5NPC1RAB9A
SCHEMBL18873905 0.87 LPAR1 (0.57) LPAR1SIRT2CXCR5NPC1RAB9A
SCHEMBL18874199 0.87 LPAR1 (0.57) LPAR1SIRT2CXCR5NPC1RAB9A
SCHEMBL18873882 0.86 LPAR1 (0.56) LPAR1SIRT2CXCR5CHRM5CHRM1
SCHEMBL18874036 0.86 LPAR1 (0.56) LPAR1SIRT2CXCR5POLBMEN1
SCHEMBL18874205 0.85 LPAR1 (0.56) LPAR1SIRT2
SCHEMBL18873861 0.85 LPAR1 (0.75) LPAR1SIRT2CXCR5NPC1RAB9A
SCHEMBL18873898 0.85 LPAR1 (0.56) LPAR1SIRT2CXCR5CHRM5CHRM1
SCHEMBL18874171 0.85 LPAR1 (0.55) LPAR1SIRT2CXCR5MEN1MAPT

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
Send feedback