SCHEMBL9281132

SCHEMBL9281132

Cc1ccc(Cc2ccccc2COCc2ccccc2Cc2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
KEAP1 Q14145 1/20 0.42
AGXT P21549 2/20 0.42
SLC5A2 P31639 2/20 0.40
SLC5A1 P13866 1/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
POLB P06746 1/20 0.39
CARM1 Q86X55 2/20 0.38
PRMT1 Q99873 2/20 0.38
HTR2A P28223 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL9403954 0.87 SLC6A2 (0.47) KEAP1SLC5A2SLC5A1SLC6A4SLC6A2
SCHEMBL2140027 0.83 HTR2A (0.54) SLC6A4SLC6A2SLC6A3POLBHTR2A
SCHEMBL6666921 0.83 TSHR (0.56) KEAP1HTR2ATSHRCYP3A4IDO1
SCHEMBL12270341 0.82 KCNH2 (0.51) KCNH2AGXTPOLBCARM1PRMT1
SCHEMBL9232175 0.81 LTA4H (0.60) AGXTSLC5A2SLC5A1IDO1
SCHEMBL9283180 0.79 IDO1 (0.50) TSHRCYP3A4CYP2D6CYP2C19IDO1
SCHEMBL9231367 0.79 TAAR1 (0.43) TSHR
SCHEMBL6547993 0.79 POLB (0.45) KCNH2KEAP1SLC5A2SLC6A4SLC6A2
SCHEMBL6378299 0.79 POLB (0.51) KEAP1SLC5A2POLBTSHRCYP3A4
SCHEMBL605027 0.78 HTR2A (0.48) KEAP1AGXTSLC5A2SLC6A4SLC6A2

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
EP-0664316-A1 Polycarbonate composition having improved resistance to gamma-ray radiation TEIJIN LIMITED (JP) 1995-07-26 EP disclosed