SCHEMBL2028628

SCHEMBL2028628

C=CCc1cccc(C)c1C.[Na]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
AKR1B1 P15121 1/20 0.37
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL170383 0.98 GABRA1 (0.48) GABRA1GABRB2ESR1ESR2GAA
SCHEMBL1733365 0.98 GABRA1 (0.48) GABRA1GABRB2ESR1ESR2GAA
Ammonia Solution, Strong SCHEMBL8756176 0.96 GABRA1 (0.47) GABRA1GABRB2ESR1ESR2GAA
Hydrochloric Acid SCHEMBL28962287 0.96 GABRA1 (0.47) GABRA1GABRB2ESR1ESR2GAA
Hydrochloric Acid SCHEMBL11352010 0.94 GABRA1 (0.46) GABRA1GABRB2ESR1ESR2GAA
Methylamine SCHEMBL28456206 0.92 GABRA1 (0.44) GABRA1GABRB2ESR1ESR2GAA
Sulfuric Acid SCHEMBL1401457 0.87 GABRA1 (0.44) GABRA1GABRB2ESR1ESR2GAA
SCHEMBL22355711 0.87 GABRA1 (0.54) GABRA1GABRB2GAAMEN1KMT2A
SCHEMBL4790673 0.83 GAA (0.42) GABRA1GABRB2ESR1ESR2GAA
SCHEMBL7572072 0.83 GABRA1 (0.45) GABRA1GABRB2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225343-B1 IMPROVED ENHANCED OIL RECOVERY SURFACTANT FORMULATION AND METHOD OF MAKING THE SAME CHEVRON ORONITE CO (US) 2013-10-16 EP disclosed
US-8163678-B2 Enhanced oil recovery surfactant formulation and method of making the same CHEVRON U.S.A. INC. (US) 2012-04-24 US disclosed
US-7964745-B2 Method of making a synthetic alkylaryl sulfonate CHEVRON ORONITE COMPANY LLC (US) 2011-06-21 US disclosed
EP-2231593-A1 A METHOD OF MAKING A SYNTHETIC ALKYLARYL SULFONATE Chevron Oronite Company LLC (US) 2010-09-29 EP disclosed
EP-2225343-A1 IMPROVED ENHANCED OIL RECOVERY SURFACTANT FORMULATION AND METHOD OF MAKING THE SAME Chevron Oronite Company LLC (US) 2010-09-08 EP disclosed
US-7598414-B2 Method of making a synthetic alkylaryl sulfonate CHEVRON ORONITE COMPANY LLC (US) 2009-10-06 US disclosed
US-20090209778-A1 METHOD OF MAKING A SYNTHETIC ALKYLARYL SULFONATE CHEVRON ORONITE COMPANY LLC 2009-08-20 US disclosed
WO-2009085964-A1 A METHOD OF MAKING A SYNTHETIC ALKYLARYL SULFONATE CHEVRON ORONITE COMPANY LLC (US) 2009-07-09 WO disclosed
US-20090163669-A1 METHOD OF MAKING A SYNTHETIC ALKYLARYL SULFONATE Chevron Oronite LLC 2009-06-25 US disclosed
WO-2009058889-A1 IMPROVED ENHANCED OIL RECOVERY SURFACTANT FORMULATION AND METHOD OF MAKING THE SAME CHEVRON ORONITE COMPANY LLC (US) 2009-05-07 WO disclosed
US-20090111717-A1 ENHANCED OIL RECOVERY SURFACTANT FORMULATION AND METHOD OF MAKING THE SAME CHEVRON ORONITE COMPANY LLC (US) 2009-04-30 US disclosed
WO-2009017497-A2 A METHOD OF MAKING A SYNTHETIC ALKYLARYL SULFONATE CHEVRON ORONITE COMPANY LLC (US) 2009-02-05 WO disclosed
US-20070282125-A1 Method of making a synthetic alkylaryl sulfonate CHEVRON ORONITE COMPANY LLC 2007-12-06 US disclosed
EP-0121964-B1 PROCESS FOR PREPARING AN ALKYL ARYL SULPHONATE CONCENTRATE COMPOSITION SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-12-30 EP disclosed
EP-0121964-A1 Process for preparing an alkyl aryl sulphonate concentrate composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-10-17 EP disclosed