SCHEMBL4437254

SCHEMBL4437254

CCCCC(C(=O)N[C@@H](CC(=O)O)c1ccccc1)n1cc(C)cc(Cc2ccccc2C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.36
FPR2 P25090 2/20 0.36
CMA1 P23946 3/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSA P10619 3/20 0.35
POLB P06746 1/20 0.35
CASP1 P29466 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
CYP26A1 O43174 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
SCHEMBL7429087 0.93 MMP2 (0.38) FPR1CTSAPOLBCASP1SMN1; SMN2
SCHEMBL4427187 0.93 MMP2 (0.38) FPR1CTSAPOLBCASP1SMN1; SMN2
SCHEMBL4426944 0.91 FPR1 (0.39) FPR1FPR2CTSAPOLBCASP1
SCHEMBL4435242 0.91 CASP1 (0.37) FPR1FPR2CMA1CTSAPOLB
SCHEMBL4426739 0.90 CASP1 (0.42) FPR1FPR2CMA1CTSACASP1
SCHEMBL8506622 0.90 CTSA (0.40) FPR1CTSACYP26A1
SCHEMBL4435400 0.90 CTSA (0.40) FPR1CTSACYP26A1
SCHEMBL4435399 0.90 CTSA (0.40) FPR1CTSACYP26A1
SCHEMBL4426794 0.89 CASP1 (0.39) FPR1CTSACASP1SMN1; SMN2GPR88
SCHEMBL4426400 0.89 CYP26A1 (0.38) FPR1CTSAGPR88CYP26A1

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 1 patent. 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