SCHEMBL2171696

SCHEMBL2171696

Cc1ccc2c(C(C)C)cc(C(C)C)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.43
CYP1A2 P05177 3/20 0.43
LMNA P02545 3/20 0.42
TRPA1 O75762 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
FABP3 P05413 2/20 0.37
FABP4 P15090 2/20 0.37
GAA P10253 2/20 0.36
FABP5 Q01469 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2A P28223 1/20 0.33

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
SCHEMBL2171636 0.86 GABRA1 (0.42) LMNATRPA1GABRA1GABRB2FABP3
SCHEMBL22435262 0.79 CYP1A2 (0.38) CYP2A6CYP1A2GABRA1GABRB2FABP3
SCHEMBL20314890 0.79 LMNA (0.50) CYP2A6CYP1A2LMNATRPA1CHRM1
SCHEMBL18595902 0.77 CYP2A6 (0.38) CYP2A6CYP1A2LMNATRPA1CHRM1
SCHEMBL2173494 0.76 UGT2B7 (0.44) CYP2A6CYP1A2HTR2BGABRA1GABRB2
SCHEMBL18134570 0.73 CASP6 (0.42) CYP2A6CYP1A2LMNATRPA1CHRM1
SCHEMBL7921714 0.73 CYP2A6 (0.67) CYP2A6CYP1A2LMNATRPA1CHRM1
SCHEMBL7915628 0.73 CYP2A6 (0.62) CYP2A6CYP1A2LMNATRPA1CHRM1
SCHEMBL30253980 0.73 CYP2A6 (0.62) CYP2A6CYP1A2LMNATRPA1CHRM1
SCHEMBL26233298 0.72 CYP1A2 (0.38) CYP2A6CYP1A2LMNATRPA1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7972763-B2 Patterns having high resolution; used for semiconductor microfabrication employing a lithography SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-05 US disclosed
US-20080153036-A1 Chemically amplified positive resist compostion SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-06-26 US disclosed