SCHEMBL4430253

SCHEMBL4430253

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cc(C)c(OC)c(C)c1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 6/20 0.38
FPR2 P25090 2/20 0.37
CASP1 P29466 3/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP8 Q14790 1/20 0.34
CTSA P10619 2/20 0.33
MMP2 P08253 9/20 0.33
MMP1 P03956 4/20 0.33
MMP3 P08254 4/20 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
SCHEMBL7433099 0.94 FPR1 (0.39) FPR1FPR2CASP1CASP3CASP7
SCHEMBL4435402 0.92 FPR1 (0.41) FPR1FPR2CASP1CASP3CASP7
SCHEMBL4431146 0.91 POLB (0.39) FPR1FPR2CTSA
SCHEMBL4429163 0.91 FPR1 (0.36) FPR1FPR2CASP1MMP2MMP1
SCHEMBL4427187 0.91 MMP2 (0.38) FPR1CASP1CTSAMMP2MMP1
SCHEMBL7429087 0.91 MMP2 (0.38) FPR1CASP1CTSAMMP2MMP1
SCHEMBL4434296 0.90 FPR1 (0.36) FPR1CASP1CTSAMMP2MMP1
SCHEMBL8506622 0.89 CTSA (0.40) FPR1CTSAMMP2MMP1MMP3
SCHEMBL4435400 0.89 CTSA (0.40) FPR1CTSAMMP2MMP1MMP3
SCHEMBL4435399 0.89 CTSA (0.40) FPR1CTSAMMP2MMP1MMP3

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