SCHEMBL4851977

SCHEMBL4851977

c1ccc2c(c1)ccc1c2cc2c3cc4c5ccccc5ccc4c4cccc(c5cccc1c52)c43

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.64
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 5/20 0.58
CYP1A2 P05177 5/20 0.58
HPGD P15428 3/20 0.58
THRB P10828 1/20 0.58
FYN P06241 2/20 0.57
ACHE P22303 2/20 0.57
AHR P35869 2/20 0.57
ERBB2 P04626 1/20 0.57
MAOA P21397 1/20 0.57
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP2A6 P11509 1/20 0.55
HIF1A Q16665 2/20 0.52
CYP1B1 Q16678 1/20 0.52
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 2/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL4851543 0.96 ALDH1A1 (0.60) HPRT1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL5482548 0.90 ALDH1A1 (0.64) HPRT1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL4847664 0.90 ALDH1A1 (0.64) HPRT1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL4853963 0.90 ALDH1A1 (0.64) HPRT1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL868423 0.90 ALDH1A1 (0.58) HPRT1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL8321936 0.90 ALDH1A1 (0.58) HPRT1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL4855288 0.88 HPRT1 (0.67) HPRT1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL3701854 0.88 HPRT1 (0.82) HPRT1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL69097 0.88 HPRT1 (0.82) HPRT1ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL29268806 0.88 ALDH1A1 (0.61) HPRT1ALDH1A1HSD17B10CYP1A2HPGD

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 6 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-7175922-B2 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY (US) 2007-02-13 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20050106415-A1 Aggregate organic light emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2005-05-19 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed