SCHEMBL259002

SCHEMBL259002

Cc1c(O)ccc(CC(C)C)c1CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
USP2 O75604 2/20 0.43
TYR P14679 1/20 0.37
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
SCN5A Q14524 1/20 0.35
ALOX15 P16050 3/20 0.34
ALOX12 P18054 3/20 0.34
NR3C1 P04150 3/20 0.34
PGR P06401 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ESR1 P03372 2/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 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
SCHEMBL10703793 0.84 GABRA1 (0.48) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL276132 0.83 GABRA1 (0.52) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL31015759 0.82 GABRA1 (0.52) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL10850949 0.82 KDM4E (0.44) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL29582838 0.79 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL248342 0.78 GABRA1 (0.48) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL29079425 0.77 GABRA1 (0.61) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL259001 0.76 GABRA1 (0.50) GABRA1GABRB2KDM4EHPGDHSD17B10
Sulfuric Acid SCHEMBL9579664 0.76 GABRA1 (0.44) GABRA1GABRB2KDM4EHPGDHSD17B10
SCHEMBL18992092 0.75 GABRA1 (0.50) GABRA1GABRB2KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825145-A1 TIRE RUBBER COMPOSITION AND TIRE Sumitomo Rubber Industries, Ltd. (JP) 2021-05-26 EP disclosed
US-8524643-B2 Surfactant mixtures for tertiary oil recovery BASF SE (DE) 2013-09-03 US disclosed
CN-101238193-B Surfactant mixtures for tertiary mineral oil production BASF AG 2012-04-11 CN disclosed
US-20120012311-A1 Surfactant Mixtures for Tertiary Oil Recovery BASF SE (DE) 2012-01-19 US disclosed
US-8053396-B2 recovering hydrocarbons from underground deposits by surfactant flooding ( surfactant and cosurfactant), cosurfactant containing amphiphilic polymer having one or more hydrophobic subunits based on a polyisobutene block, have terminally arranged double bonds, and hydrophilic subunits BASF SE (DE) 2011-11-08 US disclosed
US-7727948-B2 Mixture, comprising a surfactant and a cosurfactant that is an amphiphilic polymer BASF SE (DE) 2010-06-01 US disclosed
US-20080194435-A1 Surfactant Mixtures For Tertiary Oil Recovery BASF AKTIENGESELLSCHAFT (DE) 2008-08-14 US disclosed
CN-101238193-A Surfactant mixtures for tertiary mineral oil production BASF AG (DE) 2008-08-06 CN disclosed
US-20070060495-A1 Mixture, comprising a surfactant and a cosurfactant BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
US-5112364-A Improved valve cleaning BASF AKTIENGESELLSCHAFT (DE) 1992-05-12 US disclosed
US-4013640-A SOLVENT EXTRACTION, DISTILLATION UNION CARBIDE CORPORATION (US) 1977-03-22 US disclosed