SCHEMBL7322873

SCHEMBL7322873

COC(=O)C(C(C)C)N(C(=O)CCCCCc1ccccc1)C(=O)C(N)C(CO)CNC(=O)[C@H](C)NC(=O)[C@H](C)N

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.35
ALOX5 P09917 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34

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
SCHEMBL7329315 0.94 ALOX5 (0.37) CES1ALOX5KDM4AKDM5AKDM4C
SCHEMBL7322631 0.94 CASP1 (0.34)
SCHEMBL7332732 0.94 CASP1 (0.34)
SCHEMBL7332144 0.94 CASP1 (0.34)
SCHEMBL7323129 0.93 ERAP2 (0.36)
SCHEMBL7324394 0.91 TPSAB1 (0.40)
SCHEMBL7329240 0.89 CTSL (0.38)
SCHEMBL7324594 0.89 CTSL (0.38)
SCHEMBL7322402 0.87 TPSAB1 (0.38)
SCHEMBL10377223 0.87 ERAP2 (0.36)

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 4 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 claimed
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP claimed
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