SCHEMBL6526709

SCHEMBL6526709

CCCCCOCC(O)CCl

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.66
HTT P42858 2/20 0.63
LPAR5 Q9H1C0 4/20 0.54
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
SPHK1 Q9NYA1 1/20 0.49
HSD17B10 Q99714 1/20 0.45
LPAR1 Q92633 7/20 0.42
LPAR3 Q9UBY5 7/20 0.42
LPAR2 Q9HBW0 4/20 0.42
LPAR6 P43657 3/20 0.42
LPAR4 Q99677 3/20 0.42
PLA2G2C Q5R387 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6526703 1.00 USP2 (0.66) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL8502518 1.00 USP2 (0.66) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL29137697 0.98 USP2 (0.69) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL8958207 0.98 USP2 (0.69) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL14152429 0.98 USP2 (0.69) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL2996799 0.98 USP2 (0.69) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL10395288 0.98 USP2 (0.69) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL7668037 0.98 USP2 (0.69) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL8958244 0.98 USP2 (0.69) USP2HTTLPAR5CYP1A2CYP3A4
SCHEMBL8958335 0.98 USP2 (0.69) USP2HTTLPAR5CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102240520-B Preparation method of polyhydroxy abietyl quaternary ammonium salt gemini surfactant UNIV GUILIN TECH GUT 2013-07-24 CN claimed
CN-102240520-A Preparation method of polyhydroxy abietyl quaternary ammonium salt gemini surfactant UNIV GUILIN TECH GUT 2011-11-16 CN claimed
JP-2157247-A None JP disclosed
JP-11103878-A None JP disclosed
JP-61189258-A None JP disclosed
CN-102688722-B Hydrogenated rosin-based quaternary ammonium salt gemini surfactant and preparation method thereof UNIV GUANGXI 2014-03-05 CN disclosed
CN-102240520-B Preparation method of polyhydroxy abietyl quaternary ammonium salt gemini surfactant UNIV GUILIN TECH GUT 2013-07-24 CN disclosed
CN-102240520-B Preparation method of polyhydroxy abietyl quaternary ammonium salt gemini surfactant UNIV GUILIN TECH GUT 2013-07-24 CN disclosed
CN-103168034-A Method for producing epoxy compound KAO CORP 2013-06-19 CN disclosed
CN-102688722-A Hydrogenated rosin-based quaternary ammonium salt gemini surfactant and preparation method thereof UNIV GUANGXI 2012-09-26 CN disclosed
CN-102240520-A Preparation method of polyhydroxy abietyl quaternary ammonium salt gemini surfactant UNIV GUILIN TECH GUT 2011-11-16 CN disclosed
CN-102240520-A Preparation method of polyhydroxy abietyl quaternary ammonium salt gemini surfactant UNIV GUILIN TECH GUT 2011-11-16 CN disclosed
JP-2005006552-A NEW CARBONYL REDUCTASE, DNA ENCODING THE SAME AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL USING THE SAME MITSUBISHI CHEMICALS CORP 2005-01-13 JP disclosed
JP-H11103878-A OPTICALLY ACTIVE 1-ACYLOXY-3-CHLORO-2-PROPANOL, AND PRODUCTION OF OPTICALLY ACTIVE 3-CHLORO-1,2-PROPANEDIOL MITSUBISHI CHEMICAL CORP 1999-04-20 JP disclosed
JP-H02157247-A PRODUCTION OF 1-ACYLOXY-3-HALOGENO-2-PROPANONE KANEBO LTD 1990-06-18 JP disclosed
JP-S61189258-A OPTICALLY ACTIVE GLYCEROL DERIVATIVE AND PRODUCTION THEREOF KANEGAFUCHI CHEM IND CO LTD 1986-08-22 JP disclosed