SCHEMBL9559552

SCHEMBL9559552

CCOc1cc[c]c(-c2ccccc2)c1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SSTR5 P35346 3/20 0.42
MAPK1 P28482 1/20 0.38
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
ALOX5 P09917 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SCN9A Q15858 1/20 0.36
NR3C1 P04150 1/20 0.36
DRD4 P21917 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL9559692 0.89 CYP1A2 (0.47) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL9559577 0.87 NPC1 (0.46) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL9559575 0.86 HPGD (0.44) KDM4ENPC1RAB9AMAPTHSD17B10
SCHEMBL9559649 0.81 NQO1 (0.45) CYP1A2CYP2D6CYP2C19TDP1KDM4E
SCHEMBL9559674 0.81 CYP1A2 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL9559602 0.78 NPC1 (0.44) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL9559594 0.77 NPC1 (0.43) KDM4ENPC1RAB9AMAPTHSD17B10
SCHEMBL30357935 0.77 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL9559608 0.76 TDP1 (0.41) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL9559601 0.76 TDP1 (0.41) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1

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
US-5235061-A 2,4-disilaalkanes; agriculture KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1993-08-10 US disclosed