SCHEMBL5758360

SCHEMBL5758360

CC(C)(C)OC(=O)NC(CNC(=O)c1ccccc1O)C(Cc1ccc(OCc2ccccc2)cc1)SCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.45
PSMB8 P28062 2/20 0.45
PSMB9 P28065 2/20 0.45
PSMB5 P28074 2/20 0.45
PSMB10 P40306 1/20 0.45
PSMB2 P49721 1/20 0.45
YAP1 P46937 3/20 0.42
BCL2 P10415 1/20 0.40
ACE P12821 1/20 0.40
REN P00797 11/20 0.39
PTPN1 P18031 1/20 0.39
CACNA1B Q00975 1/20 0.38

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
SCHEMBL5754577 0.92 REN (0.39) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5754117 0.90 CACNA1B (0.42) RENCACNA1B
SCHEMBL5754050 0.89 NPC1 (0.37) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5756667 0.87 REN (0.38) RENPTPN1CACNA1B
SCHEMBL5758199 0.86 CACNA1B (0.43) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5756949 0.84 REN (0.37) REN
SCHEMBL5756196 0.84 CACNA1B (0.38) PTPN1CACNA1B
SCHEMBL5756531 0.83 HTR2C (0.40) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL5756303 0.82 KMT2A (0.37) PTPN1CACNA1B
SCHEMBL5756321 0.80 CACNA1B (0.51) PSMB8RENCACNA1B

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