SCHEMBL5756658

SCHEMBL5756658

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.36
MCL1 Q07820 9/20 0.36
HTRA1 Q92743 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCL2 P10415 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FKBP4 Q02790 1/20 0.31
MC4R P32245 1/20 0.30
MC5R P33032 1/20 0.30

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 0.91 CACNA1B (0.43) CACNA1BHSD17B10ATMALDH1A1MEN1
SCHEMBL5758645 0.91 CACNA1B (0.43) CACNA1BHSD17B10ATMALDH1A1MEN1
SCHEMBL5755568 0.90 CACNA1B (0.35) CACNA1BHTRA1ALDH1A1L3MBTL1FKBP4
SCHEMBL5759035 0.90 CACNA1B (0.49) CACNA1BHSD17B10ATMMCL1MEN1
SCHEMBL5754736 0.90 CACNA1B (0.40) CACNA1BHSD17B10ATML3MBTL1MEN1
SCHEMBL5758199 0.88 CACNA1B (0.43) CACNA1BHSD17B10ATMMCL1BCL2
SCHEMBL5759489 0.88 MCL1 (0.34) MCL1HTRA1ALDH1A1ITGA4ITGB7
SCHEMBL5755981 0.86 KMT2A (0.38) CACNA1BHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL5757036 0.85 CACNA1B (0.45) CACNA1BHSD17B10ALDH1A1KMT2A
SCHEMBL5754795 0.85 CACNA1B (0.43) CACNA1BHSD17B10ATMMCL1MEN1

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