SCHEMBL5757009

SCHEMBL5757009

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)Nc1cnccc1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.57
HSD17B10 Q99714 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ATM Q13315 1/20 0.36
METAP2 P50579 1/20 0.35
CYP3A4 P08684 1/20 0.34
REN P00797 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
BUB1 O43683 1/20 0.32
USP30 Q70CQ3 2/20 0.32
POLB P06746 1/20 0.32
MCL1 Q07820 1/20 0.32
NAMPT P43490 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
SCHEMBL5757014 0.85 CACNA1B (0.44) CACNA1BHSD17B10GSK3AGSK3BATM
SCHEMBL5754777 0.85 CACNA1B (0.59) CACNA1BHSD17B10ATMMETAP2KMT2A
SCHEMBL4841903 0.82 CACNA1B (0.81) CACNA1BHSD17B10ATMMETAP2REN
SCHEMBL5348575 0.82 CACNA1B (0.69) CACNA1BHSD17B10ATMMETAP2CYP3A4
SCHEMBL5118882 0.78 CACNA1B (0.52) CACNA1BHSD17B10ATMMETAP2KMT2A
SCHEMBL14210090 0.78 CACNA1B (0.52) CACNA1BHSD17B10ATMMETAP2USP30
SCHEMBL5364041 0.78 CACNA1B (0.54) CACNA1BHSD17B10ATMMETAP2REN
SCHEMBL5110969 0.78 CACNA1B (0.63) CACNA1BHSD17B10ATMCYP3A4REN
SCHEMBL5123631 0.77 CACNA1B (0.54) CACNA1BHSD17B10ATMMETAP2REN
Bromide SCHEMBL5113736 0.77 CACNA1B (0.62) CACNA1BHSD17B10ATMCYP3A4REN

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