SCHEMBL1403472

SCHEMBL1403472

COC(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 5/20 0.53
HTT P42858 4/20 0.52
POLB P06746 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 2/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PAX8 Q06710 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL30203403 1.00 ALDH1A1 (0.56) ALDH1A1MAPTHTTPOLBKMT2A
Methane SCHEMBL27588822 0.98 ALDH1A1 (0.54) ALDH1A1MAPTHTTPOLBKMT2A
SCHEMBL16951683 0.92 ALDH1A1 (0.52) ALDH1A1MAPTHTTPOLBKMT2A
SCHEMBL8423567 0.92 MAPT (0.60) ALDH1A1MAPTHTTPOLBKMT2A
SCHEMBL27629995 0.92 MAPT (0.60) ALDH1A1MAPTHTTPOLBKMT2A
SCHEMBL25336874 0.92 ALDH1A1 (0.52) ALDH1A1MAPTHTTPOLBKMT2A
SCHEMBL8423562 0.92 MAPT (0.60) ALDH1A1MAPTHTTPOLBKMT2A
SCHEMBL11547738 0.90 ALDH1A1 (0.51) ALDH1A1MAPTHTTPOLBKMT2A
SCHEMBL11997805 0.89 ALDH1A1 (0.50) ALDH1A1MAPTHTTPOLBKMT2A
SCHEMBL12494510 0.89 ALDH1A1 (0.50) ALDH1A1MAPTHTTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110950774-B Protein quantitative marking reagent and preparation method and application thereof 北京大学 2021-04-13 CN claimed
CN-110950774-A Protein quantitative marking reagent and preparation method and application thereof 北京大学 2020-04-03 CN claimed
CN-104530221-B A kind of synthetic method of phthalate compound general artificial antigen 西南大学 2017-09-01 CN claimed
CN-106928514-A A kind of prick-resisting tyre and preparation method thereof 苏州信宏天科技有限公司 2017-07-07 CN claimed
CN-106397851-A Modified natural rubber cable material 安徽蓝德集团股份有限公司 2017-02-15 CN claimed
CN-105198985-A Preparation and application of dimethyl phthalate artificial coating antigen (DMP-OVA) UNIV SHANGHAI JIAOTONG 2015-12-30 CN claimed
CN-105198984-A Dimethyl phthalate artificial immunogen and preparation and application thereof UNIV SHANGHAI JIAOTONG 2015-12-30 CN claimed
CN-105111517-A Special highly-wear-resistant rubber material used for tire tread HEFEI ZAIDE MACROMOLECULE MATERIAL CO LTD 2015-12-02 CN claimed
CN-105085297-A Dimethyl phthalate hapten as well as preparation method and application thereof UNIV SHANGHAI JIAOTONG 2015-11-25 CN claimed
CN-105085662-A Preparation method and application of artificial immunogen DBP-BSA of dibutyl phthalate UNIV SHANGHAI JIAOTONG 2015-11-25 CN claimed
CN-104530221-A Synthetic method of phthalic acid ester compound general artificial antigen UNIV SOUTHWEST 2015-04-22 CN claimed
CN-104357405-A Method and kit for detecting dimethyl phthalate (DMP) UNIV HUAZHONG NORMAL 2015-02-18 CN claimed
CN-103540032-A High-temperature-resistant rubber foot pad QINGDAO BOYUTE RUBBER & PLASTIC PRODUCTS CO LTD 2014-01-29 CN claimed
EP-3745105-B1 TEMPERATURE DETECTION LABEL AND ARTICLE MANAGEMENT DEVICE USING SAME HITACHI LTD (JP) 2025-08-27 EP disclosed
US-20240400247-A1 TEMPERATURE INDICATOR MANUFACTURING SYSTEM AND TEMPERATURE INDICATOR MANUFACTURING METHOD HITACHI INDUSTRIAL EQUIPMENT SYSTEMS CO., LTD. (JP) 2024-12-05 US disclosed
EP-4431889-A1 TEMPERATURE INDICATOR MANUFACTURING SYSTEM AND TEMPERATURE INDICATOR MANUFACTURING METHOD Hitachi Industrial Equipment Systems Co., Ltd. (JP) 2024-09-18 EP disclosed
EP-0203957-A1 5-(3,5-disubstituted phenylazo)-2-hydroxybenzene acetic acids and salts and lactones thereof, and pharmaceutical compositions of said acids, salts, and lactones. PHARMACIA AB (SE) 1986-12-10 EP disclosed
WO-1986003195-A1 NOVEL AZO COMPOUNDS PHARMACIA AB (SE) 1986-06-05 WO disclosed
US-4334915-A Phenoxyphthalates and herbicide containing the same NIHON NOHYAKU CO. LTD. (JP) 1982-06-15 US disclosed
US-4002664-A Manufacture of dimethylaminobenzenecarboxylic acid esters BASF AKTIENGESELLSCHAFT (DT) 1977-01-11 US disclosed