SCHEMBL2171636

SCHEMBL2171636

CC(C)c1ccc2c(C(C)C)cc(C(C)C)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
FABP3 P05413 2/20 0.41
FABP4 P15090 2/20 0.41
KIF11 P52732 1/20 0.40
FABP5 Q01469 1/20 0.39
LMNA P02545 1/20 0.39
TRPA1 O75762 1/20 0.38
PTGS1 P23219 1/20 0.38
CACNA1C Q13936 1/20 0.38
HTT P42858 2/20 0.36
UGT2B7 P16662 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HIF1A Q16665 1/20 0.36
RNASEH1 O60930 1/20 0.34
NPC1 O15118 1/20 0.34
SCN4A P35499 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2171696 0.86 CYP2A6 (0.43) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL22435262 0.84 CYP1A2 (0.38) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL2173494 0.81 UGT2B7 (0.44) GABRA1GABRB2FABP3FABP4KIF11
SCHEMBL30876285 0.79 UGT2B7 (0.42) GABRA1GABRB2KIF11LMNATRPA1
SCHEMBL8781801 0.79 UGT2B7 (0.42) GABRA1GABRB2KIF11LMNATRPA1
SCHEMBL29389505 0.77 FABP3 (0.45) FABP3FABP4FABP5TRPA1PTGS1
SCHEMBL11143422 0.77 FABP3 (0.45) FABP3FABP4FABP5TRPA1PTGS1
SCHEMBL29618435 0.76 SIRT1 (0.40) FABP3FABP4KIF11FABP5LMNA
SCHEMBL5604937 0.76 SIRT1 (0.40) FABP3FABP4KIF11FABP5LMNA
SCHEMBL12789725 0.75 CYP1A2 (0.40) GABRA1GABRB2FABP3FABP4FABP5

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