SCHEMBL4435599

SCHEMBL4435599

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.37
P2RX3 P56373 9/20 0.35
FPR2 P25090 2/20 0.35
KMT2A Q03164 2/20 0.34
CYP26A1 O43174 1/20 0.34
CASP1 P29466 2/20 0.34
GPR88 Q9GZN0 1/20 0.33
F11 P03951 1/20 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
SCHEMBL4428559 0.93 FPR1 (0.35) FPR1FPR2KMT2ACASP1GPR88
SCHEMBL4434290 0.89 FPR1 (0.39) FPR1KMT2ACASP1GPR88
SCHEMBL4426400 0.89 CYP26A1 (0.38) FPR1CYP26A1GPR88
SCHEMBL8506622 0.87 CTSA (0.40) FPR1CYP26A1
SCHEMBL4435400 0.87 CTSA (0.40) FPR1CYP26A1
SCHEMBL4435399 0.87 CTSA (0.40) FPR1CYP26A1
SCHEMBL4427187 0.87 MMP2 (0.38) FPR1CASP1
SCHEMBL7429087 0.87 MMP2 (0.38) FPR1CASP1
SCHEMBL6759875 0.86 FPR1 (0.43) FPR1P2RX3FPR2KMT2ACASP1
SCHEMBL4434296 0.86 FPR1 (0.36) FPR1CASP1

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