SCHEMBL5754183

SCHEMBL5754183

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CACNA1B Q00975 3/20 0.34
TP53 P04637 4/20 0.33
P2RX7 Q99572 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
SRC P12931 1/20 0.33
ACKR3 P25106 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
CTSD P07339 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
SCHEMBL5755403 0.94 CACNA1B (0.40) CACNA1BHSD17B10SRCACKR3ATM
SCHEMBL5754912 0.89 CACNA1B (0.43) ALDH1A1CACNA1BTP53P2RX7HSD17B10
SCHEMBL5758645 0.89 CACNA1B (0.43) ALDH1A1CACNA1BTP53P2RX7HSD17B10
SCHEMBL5756749 0.85 POLB (0.41) ALDH1A1CACNA1BP2RX7KMT2APOLB
SCHEMBL5755981 0.84 KMT2A (0.38) ALDH1A1CACNA1BTP53P2RX7HSD17B10
SCHEMBL5757036 0.83 CACNA1B (0.45) ALDH1A1CACNA1BP2RX7HSD17B10KMT2A
SCHEMBL5759035 0.83 CACNA1B (0.49) CACNA1BHSD17B10ACKR3ATMMEN1
SCHEMBL5754117 0.82 CACNA1B (0.42) ALDH1A1CACNA1BLMNASRCATM
SCHEMBL5755535 0.82 MEN1 (0.36) ALDH1A1CACNA1BTP53P2RX7LMNA
SCHEMBL5753729 0.82 ALDH1A1 (0.36) ALDH1A1CACNA1BP2RX7MEN1KMT2A

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