SCHEMBL7329315

SCHEMBL7329315

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.37
CES1 P23141 2/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
HPGD P15428 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
DAGLA Q9Y4D2 4/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL7322873 0.94 CES1 (0.35) ALOX5CES1KDM4AKDM5AKDM4C
SCHEMBL10377223 0.92 ERAP2 (0.36)
SCHEMBL7330169 0.92 ERAP2 (0.36)
SCHEMBL7327734 0.90 ALOX5 (0.32) ALOX5CES1KDM4AKDM5AKDM4C
SCHEMBL7322631 0.89 CASP1 (0.34)
SCHEMBL7332732 0.89 CASP1 (0.34)
SCHEMBL7332144 0.89 CASP1 (0.34)
SCHEMBL7324667 0.89 ALOX5 (0.41) ALOX5CES1KDM4AKDM5AKDM4C
SCHEMBL7324394 0.89 TPSAB1 (0.40) KMT2A
SCHEMBL7328746 0.88 SYK (0.38) ALOX5CES1KDM4AKDM5AKDM4C

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