SCHEMBL6917701

SCHEMBL6917701

CC(=O)C=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.70
GABBR1 Q9UBS5 2/20 0.70
PTGS1 P23219 5/20 0.54
PTGS2 P35354 4/20 0.54
TNFRSF1A P19438 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTT P42858 1/20 0.50
GPR55 Q9Y2T6 1/20 0.49
ALOX5 P09917 2/20 0.49
EEF2K O00418 1/20 0.49
SRC P12931 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
IAPP P10997 1/20 0.49
APP P05067 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47

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
SCHEMBL6917697 1.00 GABBR2 (0.70) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL9657108 0.87 GABBR2 (0.72) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL6915895 0.86 GABBR2 (0.76) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL225772 0.85 GABBR2 (0.75) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL10001228 0.85 GABBR2 (0.75) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL225771 0.85 GABBR2 (0.75) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL8371054 0.84 GABBR2 (0.68) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL4450576 0.84 GABBR2 (0.68) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL9227326 0.84 GABBR2 (0.68) GABBR2GABBR1PTGS1PTGS2TNFRSF1A
SCHEMBL4450572 0.84 GABBR2 (0.68) GABBR2GABBR1PTGS1PTGS2TNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004026245-A2 SUBSTITUTED PHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed
EP-0316790-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND THEIR USE NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-08-11 EP disclosed
US-4897406-A CHEMICAL MEDIATOR INHIBITORS INCLUDING LEUKOTRIENES; ANTIALLERGENS; BRONCHODILATOR AND ANTIICHEMIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-01-30 US disclosed
EP-0316790-A1 Rhodanine derivatives, a process for their preparation, pharmaceutical compositions and their use NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-05-24 EP disclosed
EP-0057881-B1 AN ANTI-INFLAMMATORY, ANALGESIC, AND ANTIPYRETIC PHARMACEUTICAL COMPOSITION, AND METHOD FOR PRODUCING IT KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-12-04 EP disclosed
US-4440784-A 3,5-DI-TERT-BUTYL-4-HYDROXYSTYRENE DERIVATIVE KANEGAFUCHI CHEMICAL INDUSTRY COMPANY, LTD. (JP) 1984-04-03 US disclosed
EP-0057881-A2 An anti-inflammatory, analgesic, and antipyretic pharmaceutical composition, and method for producing it KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-08-18 EP disclosed
US-4281080-A TACKIFIERS FOR RUBBERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-07-28 US disclosed
US-4010140-A Age resistant resin compositions and admixtures useful as adhesives THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-03-01 US disclosed