SCHEMBL10694479

SCHEMBL10694479

CCCCCCCCCCC(Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
CSNK1E P49674 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
NAAA Q02083 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
KCNH2 Q12809 2/20 0.41
ASAH1 Q13510 2/20 0.41
CYP19A1 P11511 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ACER2 Q5QJU3 1/20 0.40

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
SCHEMBL11870162 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL4574662 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL28875691 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL11870693 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL11780527 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL6678923 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL11871262 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL3694251 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL11663430 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1
SCHEMBL6680429 1.00 HTR2A (0.45) HTR2ACSNK1ESIGMAR1NAAAOPRM1

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
CN-105814092-B Composition for hydrophilic cured product 三井化学株式会社 2018-09-21 CN disclosed
CN-107986941-A A kind of method of basic hydrolysis chain alkyl benzyl halogen synthesizing long-chain alkyl benzylalcohol 江南大学 2018-05-04 CN disclosed
CN-105504168-B A kind of acrylamide graft copolymer and its preparation method and application and displacement of reservoir oil composition 中国石油化工股份有限公司 2018-03-02 CN disclosed
CN-105504167-B A kind of acrylamide graft copolymer and its preparation method and application and displacement of reservoir oil composition 中国石油化工股份有限公司 2018-03-02 CN disclosed
CN-107531941-A Viscous water-based composition 花王株式会社 2018-01-02 CN disclosed
CN-107430213-A Hydrophilic optical feature monofilm and its layered product 三井化学株式会社 2017-12-01 CN disclosed
CN-107250226-A Acrylic resin modified solidfied material and its layered product and their manufacture method 三井化学株式会社 2017-10-13 CN disclosed
CN-105814092-A Composition for hydrophilic cured product 三井化学株式会社 2016-07-27 CN disclosed
CN-105504168-A Acrylamide-series graft copolymer and preparation method and application thereof, and oil displacement composition CHINA PETROLEUM & CHEM CORP 2016-04-20 CN disclosed
CN-105504167-A Acrylamide-series graft copolymer and preparation method and application thereof, and oil displacement composition CHINA PETROLEUM & CHEM CORP 2016-04-20 CN disclosed
EP-0264051-A2 Derivatives of hydroxycarboxylic acids, method for their production and their application to heat and pressure sensitive recording materials BAYER AG (DE) 1988-04-20 EP disclosed