SCHEMBL7424911

SCHEMBL7424911

Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C(=O)NCCCCc2ccc(C=NN)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 11/20 0.45
NPY5R Q15761 1/20 0.45
PSMB5 P28074 8/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PLAU P00749 1/20 0.41
HPN P05981 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7418020 0.84 ITGB3 (0.62) PSMB8NPY5RPSMB5ITGB3ITGA2B
SCHEMBL7418027 0.84 ITGB3 (0.62) PSMB8NPY5RPSMB5ITGB3ITGA2B
SCHEMBL8995559 0.79 KMT2A (0.44) ALDH1A1HPGD
SCHEMBL7423101 0.77 S1PR2 (0.38) ITGB3ITGA2B
SCHEMBL7320119 0.75 RAB9A (0.43) ITGB3ITGA2BALDH1A1
SCHEMBL7414356 0.74 CASP1 (0.52) ITGB3ITGA2B
SCHEMBL7417109 0.74 CASP1 (0.52) ITGB3ITGA2B
SCHEMBL7384441 0.73 EPHX2 (0.49) ITGB3ITGA2BALDH1A1HPGD
SCHEMBL8995540 0.73 KMT2A (0.38) ITGB3ITGA2BALDH1A1HPGD
SCHEMBL4857259 0.72 NPY5R (0.62) PSMB8NPY5RPSMB5MMP2TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed
WO-1993012074-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 WO disclosed