SCHEMBL7323512

SCHEMBL7323512

CC(C)[C@H](NC(=O)[C@](C(=O)C(Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)(C(C)C)N(C)C(=O)C1CCCC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
BACE1 P56817 6/20 0.39
KMT2A Q03164 2/20 0.38
CMA1 P23946 1/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
HRH1 P35367 1/20 0.36
PSMB5 P28074 1/20 0.35
CTSD P07339 1/20 0.35

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
SCHEMBL7326620 0.89 KMT2A (0.39) BACE1KMT2ACMA1MEN1ATM
SCHEMBL7330516 0.78 CDYL2 (0.47) CDYL2CDYLBACE1KMT2ACMA1
SCHEMBL7323521 0.76 CDYL2 (0.41) CDYL2CDYLKMT2ACMA1MEN1
SCHEMBL30905085 0.72 MME (0.55)
SCHEMBL7330506 0.70 CTSD (0.49) CTSD
SCHEMBL29876771 0.70 MME (0.53) BACE1
SCHEMBL30052830 0.69 OPRD1 (0.53)
SCHEMBL7329194 0.69 CDYL2 (0.43) CDYL2CDYLBACE1PSMB5CTSD
SCHEMBL30123004 0.68 BACE1 (0.52) BACE1CTSD
SCHEMBL30799965 0.68 BACE1 (0.61) BACE1CTSD

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