SCHEMBL9307852

SCHEMBL9307852

CC(C)(C)c1cc(/C=C/CCl)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.56
GABBR1 Q9UBS5 2/20 0.56
PTGS1 P23219 4/20 0.54
PTGS2 P35354 4/20 0.54
ALOX5 P09917 2/20 0.51
HTT P42858 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
RGS12 O14924 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL9307857 1.00 GABBR2 (0.56) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL8072535 0.83 GABBR2 (0.58) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL8072537 0.83 GABBR2 (0.58) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL31375211 0.83 GABBR2 (0.58) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL1821480 0.82 PTGS1 (0.74) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL1821479 0.82 PTGS1 (0.74) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL7964070 0.77 GABBR2 (0.59) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL11674975 0.76 GABBR2 (0.63) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL13862271 0.76 GABBR2 (0.63) GABBR2GABBR1PTGS1PTGS2ALOX5
SCHEMBL20629917 0.76 GABBR2 (0.63) GABBR2GABBR1PTGS1PTGS2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352677-A Antihyperlipidemic agents KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-10-04 US disclosed
US-5294624-A Antiartheriosclerosis KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-03-15 US disclosed
US-5294643-A Cinnamamide derivative KANEGAFUCHI KAGAKU KOGYO KABUSHIKI (JP) 1994-03-15 US disclosed
EP-0407200-A1 Cinnamamide derivatives KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-01-09 EP disclosed