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SCHEMBL18874205

SCHEMBL18874205

Cc1cccc(CCOc2cc(NC3(C(=O)O)Cc4ccccc4C3)ccc2OCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 5/20 0.56
▸ FFAR1 O14842 5/20 0.41
▸ C5AR1 P21730 2/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ PPARD Q03181 1/20 0.36

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 0.92 LPAR1 (0.56) LPAR1C5AR1SIRT2FFAR4
SCHEMBL18874036 0.92 LPAR1 (0.56) LPAR1C5AR1SIRT2
SCHEMBL18874189 0.88 LPAR1 (0.58) LPAR1C5AR1SIRT2FFAR4
SCHEMBL18873905 0.87 LPAR1 (0.57) LPAR1C5AR1SIRT2FFAR4
SCHEMBL18874159 0.87 LPAR1 (0.57) LPAR1C5AR1SIRT2FFAR4
SCHEMBL18874199 0.87 LPAR1 (0.57) LPAR1C5AR1SIRT2FFAR4
SCHEMBL18874171 0.86 LPAR1 (0.55) LPAR1C5AR1SIRT2
SCHEMBL1560975 0.86 LPAR1 (0.75) LPAR1
SCHEMBL18873861 0.85 LPAR1 (0.75) LPAR1C5AR1SIRT2FFAR4
SCHEMBL18873898 0.85 LPAR1 (0.56) LPAR1SIRT2

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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