SCHEMBL4726889

SCHEMBL4726889

COc1cccc(NC2CCC(O)CC2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
BRD4 O60885 2/20 0.40
NPC1 O15118 1/20 0.40
PABPC1 P11940 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
ROCK2 O75116 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL2094864 0.82 ROCK2 (0.42) BRD4NPC1PABPC1RAB9AL3MBTL1
SCHEMBL27666323 0.82 CYP1A2 (0.47) BRD4NPC1PABPC1RAB9AL3MBTL1
SCHEMBL1645759 0.77 DRD2 (0.52) NPC1RAB9ALMNASMN1; SMN2THRB
SCHEMBL5537866 0.76 L3MBTL1 (0.53) NPC1PABPC1RAB9AL3MBTL1ROCK2
SCHEMBL4580694 0.75 MAPT (0.44) BRD4LMNAMAPK7
SCHEMBL4581221 0.75 HSP90AA1 (0.56)
SCHEMBL1471207 0.74 USP2 (0.47) BRD4NPC1PABPC1RAB9AL3MBTL1
SCHEMBL4117538 0.73 ALDH1A1 (0.60) BRD4NPC1RAB9AL3MBTL1
SCHEMBL5537861 0.73 L3MBTL1 (0.53) NPC1PABPC1RAB9AL3MBTL1ROCK2
SCHEMBL13813537 0.73 LMNA (0.43) L3MBTL1LMNANPSR1

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-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed