SCHEMBL688875

SCHEMBL688875

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
PPARG P37231 1/20 0.36
FFAR1 O14842 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CYP3A4 P08684 1/20 0.34
GNRHR P30968 1/20 0.34
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSA P10619 1/20 0.33
POLB P06746 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL687921 0.95 KMT2A (0.36) SMN1; SMN2PPARGFFAR1CYP3A4GNRHR
SCHEMBL687544 0.95 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1RXFP1CYP3A4GNRHR
SCHEMBL686800 0.93 PPARG (0.41) SMN1; SMN2PPARGFFAR1NPSR1RXFP1
SCHEMBL688193 0.92 CTSA (0.39) SMN1; SMN2NPSR1RXFP1CYP3A4GNRHR
SCHEMBL688543 0.89 SMN1; SMN2 (0.38) SMN1; SMN2PPARGNPSR1RXFP1CYP3A4
SCHEMBL686965 0.88 PPARG (0.40) SMN1; SMN2PPARGFFAR1CYP3A4GNRHR
SCHEMBL686618 0.87 KMT2A (0.37) SMN1; SMN2PPARGFFAR1NPSR1RXFP1
SCHEMBL27741949 0.87 PPARG (0.38) SMN1; SMN2PPARG
SCHEMBL687964 0.87 PPARG (0.40) SMN1; SMN2PPARGFFAR1NPSR1RXFP1
SCHEMBL688331 0.86 SMN1; SMN2 (0.38) SMN1; SMN2FFAR1NPSR1RXFP1CYP3A4

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