SCHEMBL5754577

SCHEMBL5754577

CC(C)(C)OC(=O)NC(CNC(=O)c1ccccc1O)C(Cc1ccc(Oc2ccccc2)cc1)SCC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.39
KLK5 Q9Y337 1/20 0.38
PSMB1 P20618 2/20 0.37
PSMB8 P28062 2/20 0.37
PSMB9 P28065 2/20 0.37
PSMB5 P28074 2/20 0.37
PSMB10 P40306 1/20 0.37
PSMB2 P49721 1/20 0.37
ATM Q13315 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL5754117 0.92 CACNA1B (0.42) RENKLK5ATMKMT2A
SCHEMBL5758360 0.92 PSMB1 (0.45) RENPSMB1PSMB8PSMB9PSMB5
SCHEMBL5756667 0.89 REN (0.38) RENATMKMT2A
SCHEMBL5756949 0.86 REN (0.37) RENKLK5
SCHEMBL5759035 0.86 CACNA1B (0.49) KLK5ATMKMT2A
SCHEMBL5753527 0.86 NPC1 (0.39) KMT2A
SCHEMBL5756196 0.86 CACNA1B (0.38) KLK5ATMKMT2A
SCHEMBL5754795 0.85 CACNA1B (0.43) KLK5ATMKMT2A
SCHEMBL5754050 0.84 NPC1 (0.37) RENPSMB1PSMB8PSMB9PSMB5
SCHEMBL5756303 0.84 KMT2A (0.37) ATMKMT2A

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-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed