SCHEMBL6943696

SCHEMBL6943696

Cc1cc(C(C)C)cc(C(C)C)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.65
GABRB2 P47870 3/20 0.65
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
FABP3 P05413 2/20 0.47
FABP4 P15090 2/20 0.47
GABRB1 P18505 4/20 0.46
FABP5 Q01469 1/20 0.45
PTGS1 P23219 3/20 0.44
PTGS2 P35354 1/20 0.44
TRPA1 O75762 2/20 0.43
CACNA1C Q13936 1/20 0.43
LMNA P02545 3/20 0.41
GSR P00390 1/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2B P41595 2/20 0.39
FAAH O00519 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30467045 1.00 GABRA1 (0.65) GABRA1GABRB2CA1CA2FABP3
SCHEMBL94533 0.85 GABRA1 (0.77) GABRA1GABRB2CA1CA2FABP3
SCHEMBL2754950 0.85 PTGS1 (0.55) GABRA1GABRB2CA1CA2FABP3
Ammonia Solution, Strong SCHEMBL28098766 0.83 GABRA1 (0.74) GABRA1GABRB2CA1CA2FABP3
SCHEMBL28658146 0.82 GABRA1 (0.46) GABRA1GABRB2CA1CA2GABRB1
SCHEMBL13997556 0.80 GABRA1 (0.75) GABRA1GABRB2CA1CA2GABRB1
SCHEMBL6847775 0.79 GABRA1 (0.52) GABRA1GABRB2CA1CA2FABP3
SCHEMBL11478420 0.79 GABRA1 (0.43) GABRA1GABRB2CA1CA2FABP3
SCHEMBL11437736 0.79 GABRA1 (0.43) GABRA1GABRB2CA1CA2FABP3
SCHEMBL11652210 0.79 CA1 (0.73) GABRA1GABRB2CA1CA2GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017044889-A1 LRH-1 MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-16 WO disclosed
EP-0811631-B1 Sulfurized phenolic antioxidant composition, method of preparing same, and petroleum products containing same ETHYL CORP (US) 2003-02-19 EP disclosed
EP-0866112-B1 Sulfurized phenolic antioxidant composition, method of preparing same, and petroleum products containing same ETHYL CORP (US) 2000-03-29 EP disclosed
EP-0866112-A1 Sulfurized phenolic antioxidant composition, method of preparing same, and petroleum products containing same ETHYL CORPORATION (US) 1998-09-23 EP disclosed
EP-0811631-A2 Sulfurized phenolic antioxidant composition, method of preparing same, and petroleum products containing same ETHYL CORPORATION (US) 1997-12-10 EP disclosed