SCHEMBL9716505

SCHEMBL9716505

Ic1ccc2ccccc2c1.Ic1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
CYP2A6 P11509 7/20 0.42
HSD17B10 Q99714 6/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
HPRT1 P00492 1/20 0.39
MAPK1 P28482 1/20 0.38
MC5R P33032 1/20 0.38
CYP1A2 P05177 6/20 0.37
HPGD P15428 3/20 0.37
THRB P10828 1/20 0.37
CYP3A4 P08684 2/20 0.35
KEAP1 Q14145 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL6561370 0.83 CYP1A2 (0.35) ALDH1A1HSD17B10TSHRHIF1ACYP1B1
SCHEMBL6562931 0.83 ALDH1A1 (0.38) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL29416306 0.82 ALDH1A1 (0.53) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL150366 0.82 CYP2A6 (0.48) ALDH1A1CYP2A6HSD17B10TDP1HIF1A
SCHEMBL30586370 0.82 CYP2A6 (0.48) ALDH1A1CYP2A6HSD17B10TDP1HIF1A
SCHEMBL30707311 0.82 CYP2A6 (0.48) ALDH1A1CYP2A6HSD17B10TDP1HIF1A
SCHEMBL150739 0.82 ALDH1A1 (0.53) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL1316181 0.80 ALDH1A1 (0.50) ALDH1A1CYP2A6HSD17B10TSHRTDP1
SCHEMBL9636086 0.80 ALDH1A1 (0.50) ALDH1A1CYP2A6HSD17B10TSHRTDP1
Iodide SCHEMBL27283444 0.80 ALDH1A1 (0.50) ALDH1A1CYP2A6HSD17B10TSHRTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0377634-B1 PROCESS FOR THE PREPARATION OF ARYL SULFIDES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-12-02 EP claimed
US-10139540-B2 Optical film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-11-27 US disclosed
US-20150042944-A1 OPTICAL FILM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-12 US disclosed