SCHEMBL8740451

SCHEMBL8740451

CC(C)Oc1ccc2cccc3c4cccc5cccc(c1c23)c54

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.49
MAPT P10636 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
THRB P10828 1/20 0.47
MCHR1 Q99705 1/20 0.42
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
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR8 Q9NR97 1/20 0.36
IRAK4 Q9NWZ3 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
SCHEMBL26927589 0.86 CYP1A2 (0.44) CYP1A2MAPTCYP2C9CYP2C19HPGD
SCHEMBL13339163 0.81 ALDH1A1 (0.48) CYP1A2MAPTCYP2C9CYP2C19HPGD
SCHEMBL4406270 0.79 HPGD (0.52) CYP1A2MAPTHPGDALDH1A1HSD17B10
SCHEMBL4564700 0.79 ALDH1A1 (0.56) CYP1A2MAPTHPGDALDH1A1HSD17B10
SCHEMBL27553479 0.75 ALDH1A1 (0.47) CYP1A2MAPTHPGDALDH1A1HSD17B10
SCHEMBL22436248 0.75 CYP1A2 (0.47) CYP1A2MAPTHPGDALDH1A1HSD17B10
SCHEMBL8740450 0.74 ALDH1A1 (0.48) CYP1A2MAPTCYP2C9CYP2C19HPGD
SCHEMBL2446012 0.72 ALDH1A1 (0.58) CYP1A2MAPTHPGDALDH1A1HSD17B10
SCHEMBL19612329 0.72 MCHR1 (0.44) CYP1A2MAPTCYP2C9CYP2C19HPGD
SCHEMBL27826948 0.72 CNR1 (0.47) CYP1A2CYP2C9HPGDALDH1A1HSD17B10

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