SCHEMBL18874036

SCHEMBL18874036

CCOc1ccc(NC2(C(=O)O)Cc3ccccc3C2)cc1OCCc1cccc(C)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.56
▸ CXCR5 P32302 2/20 0.43
▸ C5AR1 P21730 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37
▸ MEN1 O00255 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
SCHEMBL18873882 0.93 LPAR1 (0.56) LPAR1CXCR5C5AR1SIRT2
SCHEMBL18874205 0.92 LPAR1 (0.56) LPAR1C5AR1SIRT2
SCHEMBL18874159 0.90 LPAR1 (0.57) LPAR1CXCR5C5AR1SIRT2POLB
SCHEMBL18874171 0.89 LPAR1 (0.55) LPAR1CXCR5C5AR1SIRT2KMT2A
SCHEMBL18874189 0.89 LPAR1 (0.58) LPAR1CXCR5C5AR1SIRT2KMT2A
SCHEMBL18874199 0.88 LPAR1 (0.57) LPAR1CXCR5C5AR1SIRT2POLB
SCHEMBL18873905 0.88 LPAR1 (0.57) LPAR1CXCR5C5AR1SIRT2POLB
SCHEMBL18873861 0.86 LPAR1 (0.75) LPAR1CXCR5C5AR1SIRT2POLB
SCHEMBL18873898 0.86 LPAR1 (0.56) LPAR1CXCR5SIRT2KMT2AMEN1
SCHEMBL18874045 0.86 LPAR1 (0.56) LPAR1CXCR5SIRT2KMT2APOLB

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
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