SCHEMBL4853963

SCHEMBL4853963

c1ccc2c(c1)ccc1cc3c(cc12)c1ccccc1c1ccc2ccccc2c13

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
HSD17B10 Q99714 6/20 0.64
HIF1A Q16665 3/20 0.64
CYP1B1 Q16678 2/20 0.64
HPRT1 P00492 4/20 0.56
CYP1A2 P05177 6/20 0.52
FYN P06241 2/20 0.52
ACHE P22303 2/20 0.52
AHR P35869 2/20 0.52
ERBB2 P04626 1/20 0.52
MAOA P21397 1/20 0.52
HPGD P15428 4/20 0.48
TSHR P16473 3/20 0.48
CYP2A6 P11509 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
THRB P10828 1/20 0.46
LCK P06239 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAPT P10636 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL4847664 1.00 ALDH1A1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL29268806 0.98 ALDH1A1 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4853562 0.98 ALDH1A1 (0.67) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4851956 0.98 ALDH1A1 (0.67) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4851977 0.90 HPRT1 (0.64) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL11314893 0.90 ALDH1A1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL28095755 0.90 ALDH1A1 (0.73) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4848693 0.90 HPRT1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4849253 0.89 ALDH1A1 (0.80) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL2298145 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1

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