SCHEMBL4853390

SCHEMBL4853390

c1ccc2c(c1)ccc1c2ccc2ccc3c4ccccc4ccc3c21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.78
HSD17B10 Q99714 5/20 0.70
ALDH1A1 P00352 5/20 0.70
CYP1A2 P05177 4/20 0.70
HPGD P15428 4/20 0.70
THRB P10828 1/20 0.70
TSHR P16473 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
CYP2A6 P11509 1/20 0.67
ERBB2 P04626 1/20 0.60
FYN P06241 1/20 0.60
MAOA P21397 1/20 0.60
ACHE P22303 1/20 0.60
AHR P35869 1/20 0.60
HIF1A Q16665 3/20 0.55
CYP1B1 Q16678 2/20 0.55
PAX8 Q06710 1/20 0.54
MAPK1 P28482 3/20 0.48
CYP3A4 P08684 3/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL4846677 1.00 HPRT1 (0.78) HPRT1HSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL30110312 0.97 HPRT1 (0.74) HPRT1HSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL31154475 0.97 HPRT1 (0.74) HPRT1HSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL2233815 0.97 HSD17B10 (0.75) HPRT1HSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL4852074 0.97 HPRT1 (0.74) HPRT1HSD17B10ALDH1A1CYP1A2HPGD
Chrysene SCHEMBL18546560 0.97 HSD17B10 (0.75) HPRT1HSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL4851868 0.97 HPRT1 (0.74) HPRT1HSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL535641 0.97 HPRT1 (0.74) HPRT1HSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL4852645 0.94 HSD17B10 (0.70) HPRT1HSD17B10ALDH1A1CYP1A2HPGD
SCHEMBL4888511 0.92 HSD17B10 (0.67) HPRT1HSD17B10ALDH1A1CYP1A2HPGD

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