SCHEMBL4851875

SCHEMBL4851875

c1ccc2c(c1)ccc1ccc3c4cccc5ccc6cccc(c6c54)c3c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.71
ALDH1A1 P00352 8/20 0.71
CYP1A2 P05177 5/20 0.71
HPGD P15428 5/20 0.71
THRB P10828 1/20 0.71
ERBB2 P04626 1/20 0.61
FYN P06241 1/20 0.61
MAOA P21397 1/20 0.61
ACHE P22303 1/20 0.61
AHR P35869 1/20 0.61
HPRT1 P00492 1/20 0.55
TSHR P16473 6/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP2A6 P11509 3/20 0.52
CYP3A4 P08684 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
HIF1A Q16665 2/20 0.50
MAPK1 P28482 2/20 0.50
ATM Q13315 2/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL3193475 0.95 ALDH1A1 (0.71) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL4851946 0.93 ALDH1A1 (0.62) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL4851740 0.93 ALDH1A1 (0.62) HSD17B10ALDH1A1CYP1A2HPGDTHRB
Pyrene SCHEMBL4979087 0.93 HSD17B10 (0.68) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL4855214 0.93 ALDH1A1 (0.68) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL5470958 0.93 ALDH1A1 (0.68) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL29500211 0.92 HSD17B10 (0.75) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL3701856 0.92 HSD17B10 (0.67) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL31039930 0.92 HSD17B10 (0.75) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL69098 0.92 HSD17B10 (0.75) HSD17B10ALDH1A1CYP1A2HPGDTHRB

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