SCHEMBL2310522

SCHEMBL2310522

OCCc1ccc2c(ccc3c4ccccc4ccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.52
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
AKR1B1 P15121 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HIF1A Q16665 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP1B1 Q16678 1/20 0.48
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
TRPM4 Q8TD43 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALOX5 P09917 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2310621 0.98 ALDH1A1 (0.50) HPRT1CYP1A2CYP2D6CYP2C19AKR1B1
SCHEMBL2312897 0.93 CYP1A2 (0.57) HPRT1CYP1A2CYP2D6CYP2C19AKR1B1
SCHEMBL2310101 0.90 KDM4E (0.50) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1
SCHEMBL2313249 0.89 CYP1A2 (0.60) HPRT1CYP1A2CYP2D6CYP2C19AKR1B1
SCHEMBL2315267 0.89 ALDH1A1 (0.45) HPRT1CYP1A2CYP2D6CYP2C19AKR1B1
SCHEMBL2311214 0.88 KDM4E (0.52) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1
SCHEMBL2312016 0.88 ALDH1A1 (0.53) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1
SCHEMBL2312598 0.88 ALDH1A1 (0.53) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1
SCHEMBL11704584 0.88 AKR1B1 (0.65) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1
SCHEMBL2308443 0.87 HIF1A (0.47) CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1

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