SCHEMBL7964070

SCHEMBL7964070

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.59
GABBR1 Q9UBS5 2/20 0.59
GPR55 Q9Y2T6 1/20 0.52
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
PAM P19021 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TNFRSF1A P19438 1/20 0.47
HTT P42858 1/20 0.46
ALOX5 P09917 2/20 0.45
EEF2K O00418 1/20 0.45
SRC P12931 1/20 0.45
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44

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
SCHEMBL11468190 0.84 GABBR2 (0.53) GABBR2GABBR1GPR55PTGS1PTGS2
SCHEMBL27447066 0.81 GABBR2 (0.54) GABBR2GABBR1GPR55PTGS1PTGS2
SCHEMBL31375211 0.79 GABBR2 (0.58) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL8072537 0.79 GABBR2 (0.58) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL8072535 0.79 GABBR2 (0.58) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL1821480 0.78 PTGS1 (0.74) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL1821479 0.78 PTGS1 (0.74) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL9307857 0.77 GABBR2 (0.56) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL9307852 0.77 GABBR2 (0.56) GABBR2GABBR1PTGS1PTGS2CYP1A2
SCHEMBL10001228 0.77 GABBR2 (0.75) GABBR2GABBR1GPR55PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6276147-B1 INCREASING ENERGY EFFICIENCY USING A POLAR COMPOUND CONTAINING A CARBAMATE, AN AROMATIC SULFONIC ACID, A HYDROXYCINNAMINIC ACID, AN ALKYL ESTER, AND A NONYLATED PHENYLAMINE DERIVATIVE; ADDITIVE FOR LUBRICANTS ANTONIO PIO SGARBI 2001-08-21 US claimed
US-6276147-B1 INCREASING ENERGY EFFICIENCY USING A POLAR COMPOUND CONTAINING A CARBAMATE, AN AROMATIC SULFONIC ACID, A HYDROXYCINNAMINIC ACID, AN ALKYL ESTER, AND A NONYLATED PHENYLAMINE DERIVATIVE; ADDITIVE FOR LUBRICANTS ANTONIO PIO SGARBI 2001-08-21 US disclosed
US-6276147-B1 INCREASING ENERGY EFFICIENCY USING A POLAR COMPOUND CONTAINING A CARBAMATE, AN AROMATIC SULFONIC ACID, A HYDROXYCINNAMINIC ACID, AN ALKYL ESTER, AND A NONYLATED PHENYLAMINE DERIVATIVE; ADDITIVE FOR LUBRICANTS ANTONIO PIO SGARBI 2001-08-21 US disclosed