SCHEMBL4436965

SCHEMBL4436965

CCCCC(C(=O)N[C@@H](CC(=O)O)c1ccc2cc(OC)ccc2c1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.43
GCGR P47871 1/20 0.38
CASP1 P29466 3/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP8 Q14790 1/20 0.37
CTSA P10619 2/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
AKR1C1 Q04828 1/20 0.36
PTGS1 P23219 1/20 0.36
CYP26A1 O43174 1/20 0.36
GPR55 Q9Y2T6 2/20 0.35
UTS2R Q9UKP6 3/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL4435266 0.92 FPR1 (0.40) FPR1GCGRCASP1CASP3CASP7
SCHEMBL4435402 0.91 FPR1 (0.41) FPR1CASP1CASP3CASP7CASP8
SCHEMBL4431146 0.89 POLB (0.39) FPR1CTSAPOLB
SCHEMBL8506622 0.88 CTSA (0.40) FPR1CTSACYP26A1UTS2R
SCHEMBL4435400 0.88 CTSA (0.40) FPR1CTSACYP26A1UTS2R
SCHEMBL4435399 0.88 CTSA (0.40) FPR1CTSACYP26A1UTS2R
SCHEMBL4427187 0.88 MMP2 (0.38) FPR1CASP1CTSAPOLB
SCHEMBL7429087 0.88 MMP2 (0.38) FPR1CASP1CTSAPOLB
SCHEMBL4436912 0.88 SMN1; SMN2 (0.40) FPR1CASP1
SCHEMBL4430253 0.88 FPR1 (0.38) FPR1CASP1CASP3CASP7CASP8

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