SCHEMBL2312307

SCHEMBL2312307

OCCc1ccc2cc3ccccc3c(CCO)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 4/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALOX5 P09917 1/20 0.40
BACE1 P56817 1/20 0.40
HSP90AA1 P07900 1/20 0.38
HNF4A P41235 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 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
SCHEMBL2311043 0.90 HTR2A (0.44) HTR2AL3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL240651 0.87 HTR2A (0.56) HTR2AL3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL2313164 0.84 HTR2A (0.48) HTR2AL3MBTL1CYP1A2CYP2C19CYP2C9
SCHEMBL2309511 0.82 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9HIF1A
SCHEMBL2313249 0.82 CYP1A2 (0.60) CYP1A2CYP2C19CYP2D6CYP2C9HIF1A
SCHEMBL2310621 0.80 ALDH1A1 (0.50) CYP1A2CYP2C19CYP2D6CYP2C9HIF1A
SCHEMBL27959230 0.79 GAA (0.49) HTR2AL3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL2312897 0.79 CYP1A2 (0.57) CYP1A2CYP2C19CYP2D6CYP2C9HIF1A
SCHEMBL2310522 0.79 HPRT1 (0.52) CYP1A2CYP2C19CYP2D6CYP2C9HIF1A
SCHEMBL2312016 0.78 ALDH1A1 (0.53) CYP1A2CYP2C19CYP2D6CYP2C9HIF1A

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
US-7989517-B2 Actinic ray curable composition, actinic ray curable ink, and image formation process employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-08-02 US disclosed
US-20070123600-A1 ACTINIC RAY CURABLE COMPOSITION, ACTINIC RAY CURABLE INK, AND IMAGE FORMATION PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-31 US disclosed