SCHEMBL5755027

SCHEMBL5755027

COc1ccc(CC(SCC2CCCCC2)C(CN(C)C(=O)c2ccccc2O)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.41
HSD17B10 Q99714 1/20 0.35
ATM Q13315 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SRC P12931 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
YAP1 P46937 2/20 0.31
USP30 Q70CQ3 1/20 0.31
LMNA P02545 2/20 0.31
REN P00797 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MCL1 Q07820 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 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
SCHEMBL5758645 0.89 CACNA1B (0.43) CACNA1BHSD17B10ATMKMT2AMEN1
SCHEMBL5754912 0.89 CACNA1B (0.43) CACNA1BHSD17B10ATMKMT2AMEN1
SCHEMBL5754725 0.86 CACNA1B (0.47) CACNA1BSRCTDP1REN
SCHEMBL5757036 0.83 CACNA1B (0.45) CACNA1BHSD17B10KMT2AALDH1A1
SCHEMBL5759035 0.83 CACNA1B (0.49) CACNA1BHSD17B10ATMKMT2AMEN1
SCHEMBL5754736 0.83 CACNA1B (0.40) CACNA1BHSD17B10ATMKMT2AMEN1
SCHEMBL5755981 0.82 KMT2A (0.38) CACNA1BHSD17B10KMT2AMEN1SRC
SCHEMBL5758199 0.81 CACNA1B (0.43) CACNA1BHSD17B10ATMYAP1MCL1
SCHEMBL5757099 0.80 CACNA1B (0.54) CACNA1BHSD17B10KMT2ARENALDH1A1
SCHEMBL5756658 0.80 CACNA1B (0.39) CACNA1BHSD17B10ATMKMT2AMEN1

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