SCHEMBL4428559

SCHEMBL4428559

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.35
CASP1 P29466 3/20 0.34
GPR88 Q9GZN0 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSA P10619 2/20 0.33
FPR2 P25090 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL4435599 0.93 FPR1 (0.37) FPR1CASP1GPR88KMT2AFPR2
SCHEMBL4434290 0.91 FPR1 (0.39) FPR1CASP1GPR88KMT2APOLB
SCHEMBL4434296 0.91 FPR1 (0.36) FPR1CASP1CTSA
SCHEMBL4426400 0.89 CYP26A1 (0.38) FPR1GPR88CTSA
SCHEMBL4431146 0.89 POLB (0.39) FPR1KMT2AITGB1ITGA4POLB
SCHEMBL4435400 0.88 CTSA (0.40) FPR1CTSAKEAP1NFE2L2
SCHEMBL8506622 0.88 CTSA (0.40) FPR1CTSAKEAP1NFE2L2
SCHEMBL4435399 0.88 CTSA (0.40) FPR1CTSAKEAP1NFE2L2
SCHEMBL4427187 0.88 MMP2 (0.38) FPR1CASP1POLBSMN1; SMN2CTSA
SCHEMBL7429087 0.88 MMP2 (0.38) FPR1CASP1POLBSMN1; SMN2CTSA

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