SCHEMBL2311072

SCHEMBL2311072

OCCc1cc(CCO)c2c(ccc3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HNF4A P41235 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
AKR1B1 P15121 3/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36
MC5R P33032 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 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
SCHEMBL2313668 0.92 HPRT1 (0.42) TDP1AKR1B1CYP1A2CYP2D6CYP2C19
SCHEMBL2310259 0.81 CYP1A2 (0.41) HSP90AA1HNF4ATDP1AKR1B1KDM4E
SCHEMBL2310061 0.81 CCNE2 (0.40) HSP90AA1HNF4ATDP1KDM4EMEN1
SCHEMBL2311069 0.80 HPRT1 (0.42) TDP1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2313421 0.80 CYP1A2 (0.41) HSP90AA1HNF4ATDP1AKR1B1KDM4E
SCHEMBL2310967 0.79 HPRT1 (0.45) TDP1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2311178 0.78 CYP1A2 (0.44) HSP90AA1HNF4ATDP1AKR1B1KDM4E
SCHEMBL2313542 0.78 HSP90AA1 (0.40) HSP90AA1HNF4ATDP1KDM4EMEN1
SCHEMBL2314306 0.78 CYP1A2 (0.46) HSP90AA1HNF4ATDP1MAPK1CYP1A2
SCHEMBL2313311 0.76 TDP1 (0.52) TDP1KDM4EMEN1KMT2ACYP1A2

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