SCHEMBL7446239

SCHEMBL7446239

CCCCC(C(=O)N[C@@H](CC(=O)O)c1cccc(OCCC)c1)n1cc(C)cc(Cc2ccc(F)cc2Cl)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.36
CASP1 P29466 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
FPR1 P21462 3/20 0.34
FPR2 P25090 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PTGER3 P43115 1/20 0.33
CTSA P10619 1/20 0.32
GAA P10253 1/20 0.32
CYSLTR2 Q9NS75 3/20 0.32
CYSLTR1 Q9Y271 3/20 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
SCHEMBL6759870 0.92 FFAR1 (0.36) FFAR1CASP1FPR1FPR2ALDH1A1
SCHEMBL4436745 0.87 SMN1; SMN2 (0.41) CASP1SMN1; SMN2FPR1ALDH1A1LMNA
SCHEMBL4436753 0.87 FPR1 (0.42) FFAR1CASP1SMN1; SMN2FPR1FPR2
SCHEMBL4436912 0.85 SMN1; SMN2 (0.40) CASP1SMN1; SMN2FPR1ALDH1A1PTGES
SCHEMBL4426298 0.84 CASP1 (0.37) FFAR1CASP1FPR1CTSA
SCHEMBL4426779 0.84 FPR1 (0.37) FFAR1CASP1SMN1; SMN2FPR1FPR2
SCHEMBL4429245 0.83 CTSA (0.37) FFAR1CASP1FPR1ALDH1A1PTGES
SCHEMBL4426944 0.82 FPR1 (0.39) CASP1SMN1; SMN2FPR1FPR2PPARG
SCHEMBL4426307 0.82 CASP1 (0.39) CASP1SMN1; SMN2FPR1ALDH1A1
SCHEMBL4429149 0.82 CYP26A1 (0.39) CASP1FPR1CTSA

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-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 EP claimed