SCHEMBL4848693

SCHEMBL4848693

c1ccc2cc3c(cc2c1)c1ccccc1c1ccc2ccccc2c13

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.56
HSD17B10 Q99714 4/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 4/20 0.52
HIF1A Q16665 2/20 0.52
HPGD P15428 2/20 0.52
CYP1B1 Q16678 1/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP2A6 P11509 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
FYN P06241 2/20 0.47
ACHE P22303 2/20 0.47
AHR P35869 2/20 0.47
ERBB2 P04626 1/20 0.47
MAOA P21397 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 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
SCHEMBL4853775 0.98 HPRT1 (0.59) HPRT1HSD17B10ALDH1A1CYP1A2HIF1A
SCHEMBL4853506 0.98 HSD17B10 (0.54) HPRT1HSD17B10ALDH1A1CYP1A2HIF1A
SCHEMBL14976292 0.96 HPRT1 (0.52) HPRT1HSD17B10ALDH1A1CYP1A2HIF1A
SCHEMBL4847625 0.95 HSD17B10 (0.52) HPRT1HSD17B10ALDH1A1CYP1A2HIF1A
SCHEMBL4849494 0.95 ALDH1A1 (0.56) HPRT1HSD17B10ALDH1A1CYP1A2HIF1A
SCHEMBL4849139 0.93 HPRT1 (0.54) HPRT1HSD17B10ALDH1A1CYP1A2HIF1A
SCHEMBL4855288 0.93 HPRT1 (0.67) HPRT1HSD17B10ALDH1A1CYP1A2HIF1A
Anthracene SCHEMBL29268741 0.91 HPRT1 (0.62) HPRT1HSD17B10ALDH1A1CYP1A2HIF1A
SCHEMBL4847664 0.90 ALDH1A1 (0.64) HPRT1HSD17B10ALDH1A1CYP1A2HIF1A
SCHEMBL4853963 0.90 ALDH1A1 (0.64) HPRT1HSD17B10ALDH1A1CYP1A2HIF1A

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 5 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
US-5354869-A Fluorescent dyes RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed