SCHEMBL51027

SCHEMBL51027

Nc1cc(C(=O)O)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
ALDH1A1 P00352 5/20 0.58
MAPT P10636 4/20 0.58
SRD5A2 P31213 1/20 0.52
KDM4E B2RXH2 6/20 0.51
CDC25B P30305 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 5/20 0.49
HPGD P15428 3/20 0.49
THRB P10828 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HTT P42858 2/20 0.49
GFER P55789 1/20 0.49

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
SCHEMBL29622719 1.00 TSHR (0.65) TSHRALDH1A1MAPTSRD5A2KDM4E
Hydrochloric Acid SCHEMBL6778378 0.98 TSHR (0.63) TSHRALDH1A1MAPTSRD5A2KDM4E
Water SCHEMBL28079170 0.96 TSHR (0.61) TSHRALDH1A1MAPTSRD5A2KDM4E
Nitrogen SCHEMBL28814264 0.96 TSHR (0.61) TSHRALDH1A1MAPTSRD5A2KDM4E
SCHEMBL312298 0.84 SRD5A2 (0.53) TSHRALDH1A1MAPTSRD5A2KDM4E
SCHEMBL1808714 0.83 KDM4E (0.51) TSHRALDH1A1KDM4ECA12CA1
SCHEMBL99833 0.83 TSHR (0.65) TSHRALDH1A1MAPTSRD5A2KDM4E
Pyrazole SCHEMBL28079303 0.81 TSHR (0.45) TSHRALDH1A1MAPTKDM4ELMNA
SCHEMBL7913711 0.81 KDM4E (0.50) TSHRALDH1A1MAPTKDM4ECA12
SCHEMBL5794414 0.81 TSHR (0.63) TSHRALDH1A1MAPTSRD5A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924202-A Chrome-free tanning agent containing carboxylic acid sulfonate structure and preparation method thereof 浙江康诺和新材料有限公司 2024-04-26 CN claimed
CN-115710232-A Compound containing triazolinone structure, preparation method thereof and application of compound as herbicide 中国农业大学 2023-02-24 CN claimed
CN-114057591-B Synthesis method of 3-amino-4-chlorobenzoic acid cetyl ester 苏州开元民生科技股份有限公司 2022-04-05 CN claimed
CN-114057591-A Synthesis method of high-purity 3-amino-4-chlorobenzoic acid cetyl ester 苏州开元民生科技股份有限公司 2022-02-18 CN claimed
CN-113735744-A Synthesis method of bumetanide intermediate 南京卓康医药科技有限公司 2021-12-03 CN claimed
CN-110183336-A A kind of preparation method of 3- amino -4- cetyl chlorobenzoate 河北工业大学 2019-08-30 CN claimed
CN-106238944-B A kind of streamline automatic soldering device and its method of work 徐州工程学院 2018-03-30 CN claimed
CN-105237655-B Marine organism polysaccharide Schiff base derivative, preparation method thereof, and application thereof as agricultural bactericide 中国科学院海洋研究所 2017-04-12 CN claimed
CN-105131152-B A kind of marine polysaccharide copper composition and prepare and as the application of disinfectant use in agriculture 中国科学院海洋研究所 2017-04-05 CN claimed
CN-106238944-A A kind of streamline automatic soldering device and method of work thereof 徐州工程学院 2016-12-21 CN claimed
WO-2001036541-A1 HIGH STRENGTH MONOAZO YELLOW PIGMENT ENGELHARD CORPORATION (US) 2001-05-25 WO claimed
EP-0705316-B1 EPOXY ADHESIVE COMPOSITION MINNESOTA MINING & MFG (US) 1998-07-29 EP claimed
EP-0429614-B1 AZOPHENYL COMPOUNDS JAMES ROBINSON LTD (GB) 1995-10-11 EP claimed
US-5391699-A Containing an aromatic amine carboxylate, heat resistance BRIDGESTONE CORPORATION (JP) 1995-02-21 US claimed
EP-0571095-A2 Polyester copolymer and process for the production of the same BRIDGESTONE CORPORATION (JP) 1993-11-24 EP claimed
EP-0429614-A1 AZOPHENYL COMPOUNDS. JAMES ROBINSON LTD (GB) 1991-06-05 EP claimed
WO-1990015850-A1 AZOPHENYL COMPOUNDS JAMES ROBINSON LIMITED (GB) 1990-12-27 WO claimed
US-4356277-A Reaction products of a polyglycidyl ether of a polyphenol and an amino acid and aqueous solubilized products therefrom PPG INDUSTRIES, INC. (US) 1982-10-26 US claimed
US-4299747-A LININGS PPG INDUSTRIES, INC. (US) 1981-11-10 US claimed
US-3941768-A One step diazotization coupling process CIBA-GEIGY AG (CH) 1976-03-02 US claimed