SCHEMBL4434041

SCHEMBL4434041

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cccc(OC(C)C)c1)n1cc(C)cc(Cc2cccc(Cl)c2Cl)c1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 7/20 0.35
FPR2 P25090 2/20 0.35
CASP1 P29466 2/20 0.35
CTSA P10619 2/20 0.34
KMT2A Q03164 1/20 0.34
FFAR1 O14842 2/20 0.33
PPARG P37231 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PTGER3 P43115 1/20 0.32
F11 P03951 1/20 0.31

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
SCHEMBL4426779 0.95 FPR1 (0.37) FPR1FPR2CASP1CTSAKMT2A
SCHEMBL4436791 0.93 KMT2A (0.36) FPR1FPR2CASP1CTSAKMT2A
SCHEMBL4435242 0.90 CASP1 (0.37) FPR1FPR2CASP1CTSAGPR88
SCHEMBL6759870 0.89 FFAR1 (0.36) FPR1FPR2CASP1CTSAKMT2A
SCHEMBL4434290 0.89 FPR1 (0.39) FPR1CASP1CTSAKMT2AFFAR1
SCHEMBL6759875 0.88 FPR1 (0.43) FPR1FPR2CASP1KMT2AFFAR1
SCHEMBL4427172 0.88 CASP1 (0.43) FPR1FPR2CASP1KMT2AGPR88
SCHEMBL4424304 0.88 FPR1 (0.44) FPR1FPR2CASP1FFAR1SMN1; SMN2
SCHEMBL4427169 0.88 FPR1 (0.37) FPR1FPR2CASP1KMT2AFFAR1
SCHEMBL4426944 0.86 FPR1 (0.39) FPR1FPR2CASP1CTSAPPARG

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