SCHEMBL8740444

SCHEMBL8740444

CC1Cc2c1ccc1c2ccc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.50
ALDH1A1 P00352 7/20 0.43
HSD17B10 Q99714 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP2A6 P11509 2/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
CYP1A2 P05177 3/20 0.41
MAPT P10636 2/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
AHR P35869 1/20 0.41
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PAX8 Q06710 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL28200993 0.87 HPRT1 (0.44) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27763377 0.84 KDM1A (0.41) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL28140264 0.82 HPRT1 (0.39) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL28057655 0.80 HPRT1 (0.44) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL10882497 0.80 HRH3 (0.47) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL28143760 0.80 HPRT1 (0.37) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27648066 0.79 HRH3 (0.46) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Benzene SCHEMBL27656408 0.79 HRH3 (0.46) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL28146810 0.79 HRH3 (0.46) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL28859838 0.78 HPRT1 (0.41) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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