SCHEMBL404866

SCHEMBL404866

ON=C(Cl)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 3/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
GFER P55789 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPA1 O75762 1/20 0.37
MAPK1 P28482 1/20 0.37
GSK3B P49841 1/20 0.37
HIF1A Q16665 1/20 0.37
DEPTOR Q8TB45 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F12 P00748 1/20 0.36

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
SCHEMBL518985 1.00 GAA (0.43) GAACYP2C19ALDH1A1CES2CES1
SCHEMBL404865 1.00 GAA (0.43) GAACYP2C19ALDH1A1CES2CES1
Hydrochloric Acid SCHEMBL5129627 0.97 GAA (0.41) GAACYP2C19ALDH1A1CES2CES1
Hydrochloric Acid SCHEMBL7220016 0.97 GAA (0.41) GAACYP2C19ALDH1A1CES2CES1
Hydrochloric Acid SCHEMBL7220018 0.97 GAA (0.41) GAACYP2C19ALDH1A1CES2CES1
Alcohol SCHEMBL27494925 0.89 ATM (0.43) GAACYP2C19ALDH1A1CES2CES1
Acetic Acid SCHEMBL1849523 0.89 CES2 (0.46) GAACYP2C19ALDH1A1CES2CES1
Acetic Acid SCHEMBL1849527 0.89 CES2 (0.46) GAACYP2C19ALDH1A1CES2CES1
SCHEMBL4045427 0.85 SMN1; SMN2 (0.45) ALDH1A1HPGDSMN1; SMN2GSK3BHIF1A
SCHEMBL4045428 0.85 SMN1; SMN2 (0.45) ALDH1A1HPGDSMN1; SMN2GSK3BHIF1A

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 501 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202015-A1 STABLE MICROBICIDE COMPOSITION CHEMICREA INC. (JP) 2022-06-30 US claimed
CN-114173563-A Stable microbicide composition 株式会社凯美科瑞亚 2022-03-11 CN claimed
CN-114149378-A Method for preparing polysubstituted p-quinone methylated spiro-framework oxazole 首都医科大学 2022-03-08 CN claimed
WO-2020246452-A1 STABLE MICROBICIDE COMPOSITION 株式会社ケミクレア 2020-12-10 WO claimed
CN-102336778-A Benzo-/naphtho-isoxazole derivatives and synthesis method thereof UNIV SHANGHAI 2012-02-01 CN claimed
EP-0571313-B1 An industrial microbicide and a method for killing microbes for industrial use KATAYAMA CHEMICAL WORKS CO (JP) 1999-03-03 EP claimed
EP-0615688-B1 An industrial microbicide and a method for killing microbes for industrial use KATAYAMA CHEMICAL WORKS CO (JP) 1997-11-12 EP claimed
US-5411990-A Dioxime derivative YOSHITOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1995-05-02 US claimed
US-5397804-A A-chlorobenzaldoxime, papermaking KATAYAMA CHEMICAL INCORPORATED (JP) 1995-03-14 US claimed
EP-0615688-A1 An industrial microbicide and a method for killing microbes for industrial use KATAYAMA CHEMICAL, INC. (JP) 1994-09-21 EP claimed
EP-0571313-A2 An industrial microbicide and a method for killing microbes for industrial use KATAYAMA CHEMICAL, INC. (JP) 1993-11-24 EP claimed
EP-0314422-B1 N-PHENYLALKYLBENZAMIDE FUNGICIDES DOWELANCO (US) 1993-07-28 EP claimed
CN-1033797-A The N-phenylalkylbenzamidefungicides fungicides LILLY CO ELI (US) 1989-07-12 CN claimed
EP-0314422-A2 N-phenylalkylbenzamide fungicides DOWELANCO (US) 1989-05-03 EP claimed
JP-5117107-A None JP disclosed
JP-5070306-A None JP disclosed
JP-5117108-A None JP disclosed
US-3968240-A α-Chloro-o-acylbenzaldoxime derivatives as slime control agents SOMAR MANUFACTURING CO., LTD. (JA) 1976-07-06 US disclosed
US-3953590-A Composition and method for inhibiting perspiration with S-substituted benzothiohydroximic acid and salts thereof COLGATE-PALMOLIVE COMPANY (US) 1976-04-27 US disclosed
JP-H00570306-A 0001-01-01 JP disclosed