SCHEMBL306096

SCHEMBL306096

Cc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
CYP3A4 P08684 1/20 0.67
GPR35 Q9HC97 4/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 2/20 0.62
HPGD P15428 2/20 0.62
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH5A1 P51649 1/20 0.56
ABAT P80404 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
MAPT P10636 5/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55

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
Hydrochloric Acid SCHEMBL11468634 0.98 TSHR (0.64) TSHRCYP3A4GPR35ALDH1A1MAPK1
Methoxymethane SCHEMBL5798314 0.94 TSHR (0.60) TSHRCYP3A4GPR35ALDH1A1MAPK1
Methylene Chloride SCHEMBL28679574 0.93 TSHR (0.58) TSHRCYP3A4GPR35ALDH1A1MAPK1
P-Cresol SCHEMBL11753373 0.93 TSHR (0.58) TSHRCYP3A4GPR35ALDH1A1MAPK1
SCHEMBL9318661 0.84 TSHR (0.54) TSHRCYP3A4GPR35ALDH1A1MAPK1
SCHEMBL31096484 0.83 TSHR (0.67) TSHRCYP3A4GPR35ALDH1A1MAPK1
SCHEMBL56264 0.83 TSHR (0.67) TSHRCYP3A4GPR35ALDH1A1MAPK1
SCHEMBL5500201 0.83 GPR35 (0.51) TSHRCYP3A4GPR35ALDH1A1MAPK1
Morpholine SCHEMBL27985030 0.83 TSHR (0.47) TSHRCYP3A4GPR35ALDH1A1MAPK1
SCHEMBL10037252 0.81 TTR (0.73) TSHRGPR35ALDH1A1MAPK1HPGD

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 1310 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024243-A N-isopropyl hydroxylamine used as styrene butadiene rubber inhibitor and preparation method thereof 淄博润祥工贸有限公司 2023-11-10 CN claimed
CN-114235541-B Method for rapidly determining 12 nitrophenol compounds in industrial wastewater 甘肃中商食品质量检验检测有限公司 2023-09-22 CN claimed
CN-114832857-B Size selective catalyst based on column aromatic hydrocarbon and application thereof 南通大学 2023-09-19 CN claimed
CN-116082855-A Method for preparing disperse dye by using TDA tar 万华化学集团股份有限公司 2023-05-09 CN claimed
CN-112611824-B Method for detecting phenolic compounds in carapace 宁波市产品食品质量检验研究院(宁波市纤维检验所) 2022-09-16 CN claimed
CN-112630322-B Method for detecting phenolic compounds in fish 宁波市产品食品质量检验研究院(宁波市纤维检验所) 2022-09-16 CN claimed
CN-114832857-A Size selective catalyst based on column aromatic hydrocarbon and application thereof 南通大学 2022-08-02 CN claimed
CN-111474266-B Method for detecting phenolic compounds in water 宁波市产品食品质量检验研究院(宁波市纤维检验所) 2022-08-02 CN claimed
CN-216778707-U O-nitro-p-cresol raw material and finished product mixing device 乐平市恒立化工有限公司 2022-06-21 CN claimed
CN-216245631-U O nitro p-cresol distilled water phase recycling device 乐平市恒立化工有限公司 2022-04-08 CN claimed
US-5221440-A Distilling alkaline aqueous effluent in the presence of an alkali metal hydroxide to increase the alkalinity of the residue and concentrating residue RUBICON INC. (US) 1993-06-22 US claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
WO-1988009398-A1 ELECTROCHEMICAL SYNTHESIS OF SUBSTITUTED AMINES IN BASIC MEDIA THE DOW CHEMICAL COMPANY (US) 1988-12-01 WO claimed
EP-0291865-A2 Electrochemical synthesis of substituted aromatic amines in basic media THE DOW CHEMICAL COMPANY (US) 1988-11-23 EP claimed
US-4764263-A Electrochemical synthesis of substituted aromatic amines in basic media THE DOW CHEMICAL COMPANY (US) 1988-08-16 US claimed
EP-0104309-B1 CATALYSTS FOR ALKOXYLATION REACTIONS VISTA CHEMICAL COMPANY (US) 1987-08-05 EP claimed
EP-0105080-B1 A METHOD FOR ALKOXYLATION VISTA CHEMICAL COMPANY (US) 1987-07-01 EP claimed
US-4447654-A COMPLEXING WITH METAL HALIDE SALTS KOPPERS COMPANY, INC. (US) 1984-05-08 US claimed
EP-0105080-A2 A method for alkoxylation VISTA CHEMICAL COMPANY (US) 1984-04-11 EP claimed
EP-0104309-A2 Catalysts for alkoxylation reactions VISTA CHEMICAL COMPANY (US) 1984-04-04 EP claimed