SCHEMBL27944935

SCHEMBL27944935

O=C(O)C1CCc2c(ccc3c2ccc2ccccc23)C1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
HPRT1 P00492 1/20 0.38
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.36
AHR P35869 1/20 0.36
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
RCE1 Q9Y256 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35

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
SCHEMBL1514531 0.93 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL28137295 0.78 CYP1A2 (0.60) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL30827031 0.77 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL27496779 0.77 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL6775661 0.73 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL27813909 0.73 HPRT1 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL27701978 0.72 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL27888094 0.72 KDM4E (0.49) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
Benzene SCHEMBL28102087 0.71 HPRT1 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL28182509 0.70 HPRT1 (0.41) CYP1A2CYP2D6CYP2C9CYP2C19HIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103415394-B polyester film and photosensitive resin structure UNITIKA LTD. (JP) 2015-08-12 CN disclosed
CN-103415394-A Polyester film and photosensitive resin structure UNITIKA LTD 2013-11-27 CN disclosed