SCHEMBL8517291

SCHEMBL8517291

CCCCC(C(=O)NC(CC(=O)O)c1ccc(F)cc1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PRNP P04156 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
FPR1 P21462 2/20 0.34
MMP2 P08253 5/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 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
SCHEMBL4430603 1.00 CTSA (0.39) CTSAKMT2AMEN1PRNPNPSR1
SCHEMBL4430605 1.00 CTSA (0.39) CTSAKMT2AMEN1PRNPNPSR1
SCHEMBL8506622 0.94 CTSA (0.40) CTSAFPR1MMP2MMP1MMP3
SCHEMBL4435400 0.94 CTSA (0.40) CTSAFPR1MMP2MMP1MMP3
SCHEMBL4435399 0.94 CTSA (0.40) CTSAFPR1MMP2MMP1MMP3
SCHEMBL7429087 0.94 MMP2 (0.38) CTSAFPR1MMP2MMP1MMP3
SCHEMBL4427187 0.94 MMP2 (0.38) CTSAFPR1MMP2MMP1MMP3
SCHEMBL4426341 0.93 CTSA (0.35) CTSAKMT2AMEN1FPR1MMP2
SCHEMBL4426400 0.93 CYP26A1 (0.38) CTSAFPR1MMP2MMP1MMP3
SCHEMBL4435258 0.92 CTSA (0.41) CTSAFPR1MMP2MMP1MMP3

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-1189881-B2 PROPANOIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2013-01-23 EP disclosed
EP-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 EP disclosed