SCHEMBL4435266

SCHEMBL4435266

CCCCC(C(=O)N[C@@H](CC(=O)O)c1ccc(-c2ccc(OC)cc2)cc1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.40
CYP26A1 O43174 1/20 0.39
CTSA P10619 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP3 P08254 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GCGR P47871 1/20 0.36
GPR88 Q9GZN0 2/20 0.36
PTPN1 P18031 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP1 P29466 1/20 0.36
CASP3 P42574 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
SCHEMBL4435258 0.94 CTSA (0.41) FPR1CTSAMMP3CASP1
SCHEMBL4436967 0.93 CTSA (0.41) FPR1CYP26A1CTSA
SCHEMBL4431712 0.93 CTSA (0.41) FPR1CYP26A1CTSA
SCHEMBL4429736 0.92 CTSA (0.41) FPR1CTSAKMT2AITGB1ITGA4
SCHEMBL4436965 0.92 FPR1 (0.43) FPR1CYP26A1CTSAGCGRCASP1
SCHEMBL4435402 0.91 FPR1 (0.41) FPR1CYP26A1CTSAITGB1ITGA4
SCHEMBL7047526 0.90 CTSA (0.39) FPR1CTSAMMP3PTPN1CASP1
SCHEMBL4435400 0.90 CTSA (0.40) FPR1CYP26A1CTSAMMP3
SCHEMBL4435399 0.90 CTSA (0.40) FPR1CYP26A1CTSAMMP3
SCHEMBL8506622 0.90 CTSA (0.40) FPR1CYP26A1CTSAMMP3

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-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 EP disclosed
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP disclosed