SCHEMBL7428462

SCHEMBL7428462

CCN(CC)CC(CNC(=O)OC(C)(C)C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
PRKCA P17252 2/20 0.47
PRKCD Q05655 2/20 0.47
HDAC1 Q13547 1/20 0.43
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GHSR Q92847 1/20 0.42

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
SCHEMBL6431215 0.86 PRKCA (0.60) SYKPRKCAPRKCDHDAC1ALOX5
SCHEMBL7428451 0.84 ADRB2 (0.53) SYKPRKCAPRKCDHDAC1ALOX5
SCHEMBL1553476 0.82 SYK (0.54) SYKPRKCAPRKCDHDAC1ALOX5
SCHEMBL30771411 0.81 SYK (0.53) SYKPRKCAPRKCDHDAC1ALOX5
SCHEMBL31724393 0.79 SYK (0.54) SYKPRKCAPRKCDHDAC1ALOX5
SCHEMBL9533724 0.79 SYK (0.51) SYKPRKCAPRKCDHDAC1ALOX5
SCHEMBL7425243 0.78 SYK (0.51) SYKL3MBTL1HDAC1ALOX5LTA4H
SCHEMBL7425238 0.78 CYP3A4 (0.54) SYKL3MBTL1ALOX5
SCHEMBL7425236 0.78 CYP3A4 (0.54) SYKL3MBTL1ALOX5
SCHEMBL17602184 0.78 SYK (0.50) SYKPRKCAPRKCDHDAC1ALOX5

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
WO-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO disclosed