SCHEMBL8860746

SCHEMBL8860746

OCCOC(CCO)COC(Cc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DUT P33316 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30
KCNA5 P22460 1/20 0.30

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
SCHEMBL4186763 0.81 DUT (0.44) CYP2C9CYP2C19DUTALDH1A1RECQL
SCHEMBL4186770 0.81 DUT (0.44) CYP2C9CYP2C19DUTALDH1A1RECQL
SCHEMBL26439425 0.75 PLA2G2A (0.42) CYP2C9CYP2C19DUT
SCHEMBL4192567 0.74 DUT (0.39) DUT
SCHEMBL4192561 0.74 DUT (0.39) DUT
SCHEMBL8860739 0.73 KIF11 (0.33) DUTALDH1A1RECQL
SCHEMBL13377619 0.68 DUT (0.41) CYP2C9CYP2C19DUTALDH1A1
SCHEMBL5699551 0.67 DUT (0.40) CYP2C9CYP2C19DUT
SCHEMBL4763266 0.67 DUT (0.40) CYP2C9CYP2C19DUT
SCHEMBL8204874 0.67 DUT (0.39) CYP2C9CYP2C19DUTALDH1A1RECQL

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-1997018809-A1 PROTEIN KINASE C INHIBITOR ELI LILLY AND COMPANY (US) 1997-05-29 WO disclosed