SCHEMBL4434296

SCHEMBL4434296

CCCCC(C(=O)N[C@@H](CC(=O)O)c1ccc(C)c(C)c1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.36
CTSA P10619 3/20 0.35
CASP1 P29466 3/20 0.35
MMP2 P08253 9/20 0.34
MMP1 P03956 4/20 0.34
MMP3 P08254 4/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGB6 P18564 1/20 0.34
ITGB8 P26012 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
SCHEMBL4435400 0.92 CTSA (0.40) FPR1CTSAMMP2MMP1MMP3
SCHEMBL4435399 0.92 CTSA (0.40) FPR1CTSAMMP2MMP1MMP3
SCHEMBL8506622 0.92 CTSA (0.40) FPR1CTSAMMP2MMP1MMP3
SCHEMBL4427187 0.92 MMP2 (0.38) FPR1CTSACASP1MMP2MMP1
SCHEMBL7429087 0.92 MMP2 (0.38) FPR1CTSACASP1MMP2MMP1
SCHEMBL4426400 0.92 CYP26A1 (0.38) FPR1CTSAMMP2MMP1MMP3
SCHEMBL4431146 0.91 POLB (0.39) FPR1CTSA
SCHEMBL4425710 0.91 ALDH1A1 (0.37) FPR1CTSAMMP2MMP1MMP3
SCHEMBL4435258 0.91 CTSA (0.41) FPR1CTSACASP1MMP2MMP1
SCHEMBL4429163 0.91 FPR1 (0.36) FPR1CASP1MMP2MMP1MMP3

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