SCHEMBL686800

SCHEMBL686800

CCOc1cccc([C@H](CC(=O)O)NC(=O)Nc2c(O)c(C)c(C)n(Cc3c(Cl)cccc3OCC)c2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
FFAR1 O14842 1/20 0.36
CYP3A4 P08684 1/20 0.33
GNRHR P30968 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G2A P14555 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CTSA P10619 1/20 0.33

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
SCHEMBL686965 0.95 PPARG (0.40) PPARGSMN1; SMN2FFAR1CYP3A4GNRHR
SCHEMBL688543 0.94 SMN1; SMN2 (0.38) PPARGSMN1; SMN2CYP3A4GNRHRKMT2A
SCHEMBL688875 0.93 SMN1; SMN2 (0.37) PPARGSMN1; SMN2FFAR1CYP3A4GNRHR
SCHEMBL27741949 0.93 PPARG (0.38) PPARGSMN1; SMN2
SCHEMBL687964 0.93 PPARG (0.40) PPARGSMN1; SMN2FFAR1CYP3A4NPSR1
SCHEMBL687048 0.91 CTSA (0.41) SMN1; SMN2CYP3A4GNRHRPLA2G2ANPSR1
SCHEMBL688409 0.89 PPARG (0.42) PPARGSMN1; SMN2FFAR1CYP3A4NPSR1
SCHEMBL687921 0.88 KMT2A (0.36) PPARGSMN1; SMN2FFAR1CYP3A4GNRHR
SCHEMBL687544 0.88 SMN1; SMN2 (0.38) SMN1; SMN2CYP3A4GNRHRKMT2ANPSR1
SCHEMBL687967 0.87 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ANPSR1RXFP1CTSA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP disclosed