SCHEMBL4847769

SCHEMBL4847769

c1ccc2c3c(ccc2c1)-c1cccc2cc4ccccc4c-3c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.64
ANPEP P15144 1/20 0.52
DNMT1 P26358 1/20 0.50
ALDH1A1 P00352 8/20 0.48
HSD17B10 Q99714 7/20 0.48
HPGD P15428 4/20 0.48
TSHR P16473 4/20 0.48
HIF1A Q16665 3/20 0.48
MAPK1 P28482 3/20 0.48
CYP1A2 P05177 3/20 0.48
CASP1 P29466 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ERBB2 P04626 1/20 0.48
FYN P06241 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
AHR P35869 1/20 0.48
NQO2 P16083 2/20 0.46
NQO1 P15559 1/20 0.45
CYP1B1 Q16678 1/20 0.43

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
SCHEMBL4854951 0.93 CES1 (0.60) CES1ANPEPDNMT1ALDH1A1HSD17B10
SCHEMBL28982420 0.87 CES1 (0.57) CES1ANPEPDNMT1ALDH1A1HSD17B10
SCHEMBL4850126 0.85 CES1 (0.59) CES1ANPEPDNMT1ALDH1A1HSD17B10
SCHEMBL9099488 0.83 DNMT1 (0.52) CES1ANPEPDNMT1ALDH1A1HSD17B10
SCHEMBL27952867 0.83 CES1 (0.61) CES1ANPEPDNMT1ALDH1A1HSD17B10
SCHEMBL29531588 0.82 CES1 (0.65) CES1ANPEPDNMT1ALDH1A1HSD17B10
SCHEMBL69110 0.82 CES1 (0.65) CES1ANPEPDNMT1ALDH1A1HSD17B10
SCHEMBL24832151 0.82 CES1 (0.60) CES1ANPEPDNMT1ALDH1A1HSD17B10
SCHEMBL28871013 0.82 CES1 (0.47) CES1ANPEPDNMT1ALDH1A1HSD17B10
SCHEMBL29177886 0.81 ALDH1A1 (0.54) CES1ANPEPDNMT1ALDH1A1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed