SCHEMBL4850820

SCHEMBL4850820

c1ccc2cc3c(ccc4ccc5ccc6cc7ccc8ccccc8c7cc6c5c43)cc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
HSD17B10 Q99714 5/20 0.70
HIF1A Q16665 2/20 0.70
CYP1B1 Q16678 2/20 0.70
CYP1A2 P05177 4/20 0.61
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
HPGD P15428 4/20 0.57
TSHR P16473 2/20 0.52
CYP2A6 P11509 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
THRB P10828 1/20 0.50
HPRT1 P00492 3/20 0.48
CASP3 P42574 1/20 0.43
GFER P55789 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 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
SCHEMBL4850417 0.96 ALDH1A1 (0.70) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4846789 0.91 HSD17B10 (0.62) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4846917 0.91 HSD17B10 (0.61) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL22634173 0.91 HSD17B10 (0.76) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL29613363 0.91 HSD17B10 (0.76) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4852015 0.91 ALDH1A1 (0.84) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4847616 0.89 ALDH1A1 (0.67) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL4856657 0.89 HSD17B10 (0.65) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL22634153 0.89 HSD17B10 (0.58) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
Pyrene SCHEMBL10523104 0.89 ALDH1A1 (0.73) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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