SCHEMBL8740450

SCHEMBL8740450

CC(C)OC(C)C.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
HSD17B10 Q99714 6/20 0.48
CYP1A2 P05177 5/20 0.48
HPGD P15428 4/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 5/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MCL1 Q07820 1/20 0.36
CYP2A6 P11509 2/20 0.36
NR2E1 Q9Y466 2/20 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
Ethane SCHEMBL27966439 0.79 ALDH1A1 (0.63) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL29906043 0.79 ALDH1A1 (0.71) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL634848 0.79 ALDH1A1 (0.71) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL6538859 0.79 ALDH1A1 (0.71) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL26440 0.79 ALDH1A1 (0.71) ALDH1A1HSD17B10CYP1A2HPGDTHRB
Methyl Alcohol SCHEMBL27921828 0.76 ALDH1A1 (0.60) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL20994180 0.76 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL21885746 0.76 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL8214745 0.76 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL21885748 0.76 ALDH1A1 (0.67) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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-0705221-A4 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES INC (US) 1997-01-22 EP disclosed
EP-0705221-A1 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES, INCORPORATED (US) 1996-04-10 EP disclosed
WO-1994029221-A1 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES, INC. (US) 1994-12-22 WO disclosed