SCHEMBL5756038

SCHEMBL5756038

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.46
KMT2A Q03164 5/20 0.42
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
GALR3 O60755 1/20 0.38
ATM Q13315 1/20 0.38
GRN P28799 2/20 0.36
SORT1 Q99523 2/20 0.36
LTA4H P09960 1/20 0.36
ACACB O00763 1/20 0.35
NPY5R Q15761 1/20 0.34

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
SCHEMBL5348579 0.90 CACNA1B (0.52) CACNA1BKMT2AGAAMEN1HSD17B10
SCHEMBL5754777 0.85 CACNA1B (0.59) CACNA1BKMT2AGAAMEN1RAB9A
SCHEMBL5757014 0.85 CACNA1B (0.44) CACNA1BKMT2AMEN1HSD17B10ATM
SCHEMBL5353066 0.84 KMT2A (0.44) CACNA1BKMT2AGAAMEN1RAB9A
SCHEMBL4841915 0.83 CACNA1B (0.59) CACNA1BKMT2AMEN1HSD17B10ATM
SCHEMBL5755765 0.80 KMT2A (0.42) KMT2AGAAMEN1RAB9ANPC1
SCHEMBL5348575 0.80 CACNA1B (0.69) CACNA1BKMT2AMEN1HSD17B10ATM
SCHEMBL5117026 0.79 ENPP2 (0.40) CACNA1BKMT2AATM
SCHEMBL5116993 0.79 CACNA1B (0.41) CACNA1BKMT2AMEN1HSD17B10ATM
SCHEMBL5361820 0.79 CACNA1B (0.51) CACNA1BHSD17B10ATM

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 4 patents. 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
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP disclosed