SCHEMBL7322402

SCHEMBL7322402

COC(=O)C(C(C)C)N(C(=O)CCCCCc1ccc(OCc2ccccc2)cc1)C(=O)C(N)C(CO)CNC(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
EPOR P19235 1/20 0.37

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
SCHEMBL7324394 0.95 TPSAB1 (0.40) TPSAB1PLGPRSS1
SCHEMBL7324594 0.90 CTSL (0.38)
SCHEMBL7329240 0.90 CTSL (0.38)
SCHEMBL10378291 0.87 LTA4H (0.39) EPOR
SCHEMBL7319954 0.87 CA2 (0.35) TPSAB1PLGPRSS1
SCHEMBL7320169 0.87 LTA4H (0.43) EPOR
SCHEMBL7322631 0.85 CASP1 (0.34)
SCHEMBL7332732 0.85 CASP1 (0.34)
SCHEMBL7332144 0.85 CASP1 (0.34)
SCHEMBL7329315 0.84 ALOX5 (0.37)

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
WO-1990000399-A1 RETROVIRAL PROTEASE BINDING PEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1990-01-25 WO disclosed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed