SCHEMBL2311069

SCHEMBL2311069

OCCc1cc(CCO)c2ccc3ccccc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 2/20 0.42
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2A6 P11509 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP1B1 Q16678 1/20 0.39
ANPEP P15144 1/20 0.39

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
SCHEMBL2310967 0.98 HPRT1 (0.45) HPRT1CYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL2307222 0.90 CYP1A2 (0.47) HPRT1CYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL2309813 0.87 CYP1A2 (0.47) HPRT1CYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL2313600 0.87 CYP1A2 (0.42) CYP1A2CYP2C19CYP2D6ALDH1A1HSD17B10
SCHEMBL2314155 0.85 CYP1A2 (0.44) HPRT1CYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL2313668 0.83 HPRT1 (0.42) HPRT1CYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL2308721 0.82 TDP1 (0.42) HPRT1CYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL2312897 0.81 CYP1A2 (0.57) HPRT1CYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL2313249 0.80 CYP1A2 (0.60) HPRT1CYP1A2CYP2C19CYP2D6ALDH1A1
SCHEMBL2308691 0.80 CYP1A2 (0.42) HPRT1CYP1A2CYP2C19CYP2D6ALDH1A1

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