SCHEMBL4426328

SCHEMBL4426328

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cccc(OC(C)C)c1)n1cc(C)cc(Cc2c(Cl)cc(Cl)cc2OC)c1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 8/20 0.38
FPR2 P25090 2/20 0.38
F11 P03951 3/20 0.36
KLKB1 P03952 2/20 0.33
CTSA P10619 4/20 0.33
TLR7 Q9NYK1 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP1 P29466 2/20 0.33
P2RX3 P56373 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
SCHEMBL4436791 0.90 KMT2A (0.36) FPR1FPR2F11CTSAKMT2A
SCHEMBL4424304 0.89 FPR1 (0.44) FPR1FPR2TLR7CASP1
SCHEMBL4426779 0.87 FPR1 (0.37) FPR1FPR2CTSAKMT2ACASP1
SCHEMBL4434041 0.86 FPR1 (0.35) FPR1FPR2F11CTSAKMT2A
SCHEMBL6759875 0.86 FPR1 (0.43) FPR1FPR2F11KMT2ACASP1
SCHEMBL4434290 0.85 FPR1 (0.39) FPR1CTSAKMT2ACASP1
SCHEMBL6759870 0.84 FFAR1 (0.36) FPR1FPR2CTSAKMT2ACASP1
SCHEMBL4435242 0.84 CASP1 (0.37) FPR1FPR2CTSACASP1
SCHEMBL4427169 0.83 FPR1 (0.37) FPR1FPR2TLR7KMT2ACASP1
SCHEMBL4436767 0.83 CASP1 (0.39) FPR1KMT2ACASP1

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