SCHEMBL2310259

SCHEMBL2310259

OCCc1ccc2c(c1)cc(CCO)c1c3ccccc3ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
AKR1B1 P15121 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HNF4A P41235 1/20 0.37
HPRT1 P00492 1/20 0.37
ERBB2 P04626 1/20 0.37
FYN P06241 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
MAPK1 P28482 1/20 0.36
MC5R P33032 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 2/20 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
SCHEMBL2313421 0.95 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2310509 0.91 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2311178 0.91 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2314306 0.89 CYP1A2 (0.46) CYP1A2HIF1ACYP3A4HSP90AA1HNF4A
SCHEMBL2310621 0.84 ALDH1A1 (0.50) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2313668 0.84 HPRT1 (0.42) CYP1A2CYP2D6CYP2C19HIF1ACYP2C9
SCHEMBL2313386 0.83 TDP1 (0.41) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2310522 0.82 HPRT1 (0.52) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4
SCHEMBL2311072 0.81 HSP90AA1 (0.40) CYP1A2CYP2D6CYP2C19HIF1AAKR1B1
SCHEMBL2312897 0.79 CYP1A2 (0.57) CYP1A2CYP2D6CYP2C19HIF1ACYP3A4

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