SCHEMBL2312809

SCHEMBL2312809

OCCc1cccc2c1ccc1c3ccccc3cc(CCO)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
HIF1A Q16665 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MTNR1A P48039 2/20 0.36
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL2313216 0.90 CYP1A2 (0.43) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2314306 0.88 CYP1A2 (0.46) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2311085 0.88 CHEK1 (0.40) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2309146 0.87 CYP1A2 (0.50) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2309494 0.84 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2313863 0.83 TDP1 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2310208 0.83 TDP1 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2313421 0.83 CYP1A2 (0.41) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL2312926 0.82 HPRT1 (0.54) CYP1A2ALDH1A1HSD17B10HIF1ATSHR
SCHEMBL2312666 0.82 HPRT1 (0.54) CYP1A2ALDH1A1HSD17B10HIF1ATSHR

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