SCHEMBL4249340

SCHEMBL4249340

CCc1c(Cl)c(-c2ccccc2)cc2c1O2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.36
GCGR P47871 1/20 0.34
CYP2A6 P11509 1/20 0.33
CSNK2A1 P68400 2/20 0.33
KDM4E B2RXH2 4/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KLK7 P49862 1/20 0.32
GSK3B P49841 1/20 0.32
USP7 Q93009 2/20 0.31
SLC5A2 P31639 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4259279 0.73 AHR (0.50) AHRKMT2ACYP1A2CYP2C19LMNA
SCHEMBL4249338 0.71 AHR (0.36) AHRKMT2A
Methane SCHEMBL27483532 0.70 KDM4E (0.37) CYP2A6CSNK2A1KDM4EALDH1A1GSK3B
SCHEMBL2148888 0.69 BACE1 (0.48) KDM4ECYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL4259597 0.67 KDM4E (0.36) AHRCYP2A6KDM4ECYP1A2CYP2C9
SCHEMBL4257339 0.66 HTR2A (0.42) CYP2A6CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10988341 0.65 CYP2A6 (0.56) CYP2A6CSNK2A1ALDH1A1USP7LMNA
SCHEMBL5587568 0.65 AHR (0.41) AHRKMT2ACYP1A2CYP2C19LMNA
SCHEMBL4257349 0.65 AHR (0.35) AHR
SCHEMBL9806251 0.64 PDCD1 (0.47) GCGRCYP2A6ALDH1A1USP7SLC5A2

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-20090053616-A1 HOLOGRAPHIC RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-02-26 US disclosed