SCHEMBL5758645

SCHEMBL5758645

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.43
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SRC P12931 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 3/20 0.33
LMNA P02545 2/20 0.33
PSMB8 P28062 2/20 0.32
P2RX7 Q99572 1/20 0.32
YAP1 P46937 1/20 0.32

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 1.00 CACNA1B (0.43) CACNA1BHSD17B10ATMMEN1KMT2A
SCHEMBL5757036 0.95 CACNA1B (0.45) CACNA1BHSD17B10KMT2AALDH1A1PSMB8
SCHEMBL5759035 0.94 CACNA1B (0.49) CACNA1BHSD17B10ATMMEN1KMT2A
SCHEMBL5755981 0.94 KMT2A (0.38) CACNA1BHSD17B10MEN1KMT2ASRC
SCHEMBL5758199 0.93 CACNA1B (0.43) CACNA1BHSD17B10ATMPSMB8YAP1
SCHEMBL5754736 0.92 CACNA1B (0.40) CACNA1BHSD17B10ATMMEN1KMT2A
SCHEMBL5757099 0.91 CACNA1B (0.54) CACNA1BHSD17B10KMT2AALDH1A1PSMB8
SCHEMBL5756658 0.91 CACNA1B (0.39) CACNA1BHSD17B10ATMMEN1KMT2A
SCHEMBL5754438 0.90 CACNA1B (0.51) CACNA1BHSD17B10ATMALDH1A1PSMB8
SCHEMBL5755027 0.89 CACNA1B (0.41) CACNA1BHSD17B10ATMMEN1KMT2A

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