SCHEMBL2307941

SCHEMBL2307941

OCCc1ccc2ccc3c4cccc(CCO)c4ccc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
BACE1 P56817 1/20 0.39
BAD Q92934 2/20 0.37
MAPK1 P28482 1/20 0.36
MC5R P33032 1/20 0.36
PLAU P00749 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
AKR1B1 P15121 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
SCHEMBL2308581 1.00 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2308774 0.90 KDM4E (0.39) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2307228 0.90 KDM4E (0.39) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2314155 0.89 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2312805 0.87 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2312657 0.86 CYP1A2 (0.39) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2310005 0.86 KDM4E (0.50) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2310231 0.85 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2312897 0.84 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9
SCHEMBL2307222 0.84 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19CYP3A4CYP2C9

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