SCHEMBL27465773

SCHEMBL27465773

CC(C)c1ccccc1C(CCO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.50
GABRA1 P14867 3/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
SLC6A4 P31645 3/20 0.43
CYP3A4 P08684 3/20 0.43
SLC6A2 P23975 3/20 0.43
CASR P41180 2/20 0.43
HTR2B P41595 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
HTR1A P08908 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADRA1A P35348 2/20 0.43
OPRM1 P35372 2/20 0.43
DRD3 P35462 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KCNH2 Q12809 2/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43

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
SCHEMBL9657323 0.81 CYP19A1 (0.49) TRPA1SLC6A4CYP3A4SLC6A2HTR2B
SCHEMBL6546859 0.79 HTR2A (0.46) TRPA1GABRA1SLC6A4CYP3A4SLC6A2
SCHEMBL128570 0.79 HRH1 (0.56) TRPA1SLC6A4CYP3A4SLC6A2CASR
SCHEMBL11387106 0.78 MEN1 (0.50) TRPA1SLC6A4CYP3A4SLC6A2LMNA
Ammonia Solution, Strong SCHEMBL28849214 0.77 HRH1 (0.54) TRPA1SLC6A4CYP3A4SLC6A2CASR
Isopropylbenzene SCHEMBL10455239 0.77 GABRA1 (0.54) GABRA1GABRG2GABRB3CYP3A4SLC6A2
Isopropylbenzene SCHEMBL10669682 0.77 GABRA1 (0.54) GABRA1GABRG2GABRB3CYP3A4SLC6A2
Isobutanol SCHEMBL10941922 0.77 GABRA1 (0.56) TRPA1GABRA1GABRG2GABRB3CYP3A4
Hydrogen Peroxide SCHEMBL35519 0.76 GABRA1 (0.65) GABRA1GABRG2GABRB3CYP3A4SLC6A2
Hydrogen Peroxide SCHEMBL20593356 0.76 GABRA1 (0.65) GABRA1GABRG2GABRB3CYP3A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1310924-C Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2007-04-18 CN disclosed
CN-1246299-C Chiral copper complex, preparation method and application thereof SUMITOMO CHEMICAL CO (JP) 2006-03-22 CN disclosed
CN-1616465-A Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2005-05-18 CN disclosed
CN-1182915-C Chiral copper complex catalyst composition and method for asymmetrical preparation ס�ѻ�ѧ��ҵ��ʽ���� 2005-01-05 CN disclosed
CN-1138744-C Method for producing optically active chrysanthemic acid 住友化学工业株式会社 2004-02-18 CN disclosed
CN-1314209-A Chiral copper complex catalyst composition and method for asymmetrical preparation SUMITOMO CHEMICAL CO (JP) 2001-09-26 CN disclosed
CN-1313277-A Chiral copper complex, preparation method and application thereof SUMITOMO CHEMICAL CO (JP) 2001-09-19 CN disclosed
CN-1232017-A Method for producing optically active chrysanthemic acid SUMITOMO CHEMICAL CO (JP) 1999-10-20 CN disclosed