SCHEMBL5759035

SCHEMBL5759035

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NC(CNC(=O)c1ccccc1O)C(Cc1ccc(Oc2ccccc2)cc1)SCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.49
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.39
GHSR Q92847 1/20 0.32
MCL1 Q07820 4/20 0.32
YAP1 P46937 3/20 0.32
ACE P12821 1/20 0.32
ACKR3 P25106 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KLK5 Q9Y337 1/20 0.31

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
SCHEMBL5754912 0.94 CACNA1B (0.43) CACNA1BHSD17B10ATMYAP1MEN1
SCHEMBL5758645 0.94 CACNA1B (0.43) CACNA1BHSD17B10ATMYAP1MEN1
SCHEMBL5754438 0.94 CACNA1B (0.51) CACNA1BHSD17B10ATM
SCHEMBL5754795 0.94 CACNA1B (0.43) CACNA1BHSD17B10ATMGHSRMCL1
SCHEMBL5758199 0.93 CACNA1B (0.43) CACNA1BHSD17B10ATMGHSRMCL1
SCHEMBL5757463 0.91 CACNA1B (0.61) CACNA1BHSD17B10
SCHEMBL5754736 0.91 CACNA1B (0.40) CACNA1BHSD17B10ATMACKR3MEN1
SCHEMBL5756658 0.90 CACNA1B (0.39) CACNA1BHSD17B10ATMMCL1MEN1
SCHEMBL5757036 0.89 CACNA1B (0.45) CACNA1BHSD17B10KMT2A
SCHEMBL5755403 0.89 CACNA1B (0.40) CACNA1BHSD17B10ATMGHSRYAP1

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