SCHEMBL4847381

SCHEMBL4847381

C1=Cc2c3c1cc1ccccc1c3cc1ccc3ccccc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 6/20 0.50
HIF1A Q16665 3/20 0.50
CYP1B1 Q16678 1/20 0.50
HPRT1 P00492 3/20 0.43
CYP1A2 P05177 4/20 0.42
FYN P06241 2/20 0.42
ACHE P22303 2/20 0.42
AHR P35869 2/20 0.42
ERBB2 P04626 1/20 0.42
MAOA P21397 1/20 0.42
TSHR P16473 3/20 0.41
CYP2A6 P11509 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NQO2 P16083 2/20 0.37
PAX8 Q06710 1/20 0.37
TRPM4 Q8TD43 1/20 0.37
HPGD P15428 4/20 0.36
NQO1 P15559 1/20 0.36
LCK P06239 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
SCHEMBL4847656 0.86 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4855218 0.85 ALDH1A1 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4850338 0.85 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4848667 0.83 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4853509 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4853742 0.80 CYP1A2 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4853363 0.79 CYP1A2 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4847753 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4851519 0.77 CYP1A2 (0.46) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL4846793 0.75 CYP1A2 (0.48) 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