SCHEMBL4855866

SCHEMBL4855866

c1ccc2c(c1)ccc1cc3c(cc12)c1cccc2ccc4cccc3c4c21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
HSD17B10 Q99714 6/20 0.70
CYP1B1 Q16678 3/20 0.70
HIF1A Q16665 2/20 0.70
CYP1A2 P05177 6/20 0.67
FYN P06241 2/20 0.67
ACHE P22303 2/20 0.67
AHR P35869 2/20 0.67
ERBB2 P04626 1/20 0.67
MAOA P21397 1/20 0.67
HPGD P15428 4/20 0.62
THRB P10828 1/20 0.62
TSHR P16473 3/20 0.52
CYP2A6 P11509 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPRT1 P00492 3/20 0.48
CASP3 P42574 1/20 0.43

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
SCHEMBL5466424 0.89 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
Dibenz[A,H]Anthracene SCHEMBL25398496 0.88 CYP1A2 (0.88) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL27529248 0.87 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL4850820 0.87 ALDH1A1 (0.70) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL22634173 0.86 HSD17B10 (0.76) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL29613363 0.86 HSD17B10 (0.76) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL4848741 0.86 ALDH1A1 (0.84) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL4845352 0.86 ALDH1A1 (0.84) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL31010418 0.86 ALDH1A1 (0.84) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2
SCHEMBL31010417 0.86 ALDH1A1 (0.84) ALDH1A1HSD17B10CYP1B1HIF1ACYP1A2

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