SCHEMBL4850461

SCHEMBL4850461

c1ccc2cc3c(ccc4c3ccc3c4ccc4ccc5ccccc5c43)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.60
ALDH1A1 P00352 6/20 0.60
HIF1A Q16665 3/20 0.60
CYP1B1 Q16678 2/20 0.60
CYP1A2 P05177 4/20 0.59
ERBB2 P04626 1/20 0.59
FYN P06241 1/20 0.59
MAOA P21397 1/20 0.59
ACHE P22303 1/20 0.59
AHR P35869 1/20 0.59
HPGD P15428 5/20 0.54
THRB P10828 1/20 0.54
HPRT1 P00492 3/20 0.52
TSHR P16473 3/20 0.44
CYP2A6 P11509 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 2/20 0.44
CASP1 P29466 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL4846794 1.00 HSD17B10 (0.60) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4850297 0.98 HSD17B10 (0.58) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4854111 0.96 ALDH1A1 (0.67) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4846302 0.94 HSD17B10 (0.70) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4855299 0.94 CYP1A2 (0.61) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4855566 0.92 CYP1A2 (0.64) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4855618 0.92 CYP1A2 (0.64) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4847616 0.92 ALDH1A1 (0.67) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4852375 0.92 CYP1A2 (0.64) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2
SCHEMBL4856657 0.91 HSD17B10 (0.65) HSD17B10ALDH1A1HIF1ACYP1B1CYP1A2

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