SCHEMBL2431836

SCHEMBL2431836

CC(C(=O)O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.63
TSHR P16473 2/20 0.59
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
MMP16 P51512 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
ADAMTS4 O75173 1/20 0.43

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
SCHEMBL2431833 1.00 CYP1A2 (0.63) CYP1A2TSHRALDH1A1HSD17B10MMP1
SCHEMBL3003307 0.89 ALDH1A1 (0.57) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL27474823 0.87 ALDH1A1 (0.58) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL28337091 0.85 CYP1A2 (0.54) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL10717343 0.85 TSHR (0.50) CYP1A2TSHRALDH1A1TDP1L3MBTL1
SCHEMBL7733065 0.84 CYP1A2 (0.57) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL2413159 0.84 ALDH1A1 (0.55) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL11518980 0.84 ALDH1A1 (0.55) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL29688451 0.84 ALDH1A1 (0.55) CYP1A2TSHRALDH1A1HSD17B10TDP1
SCHEMBL974764 0.84 ALDH1A1 (0.55) CYP1A2TSHRALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3128838-B1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION AGRA GROUP AS (CZ) 2020-04-29 EP disclosed
EP-3128838-A1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION Agra Group, A.S. (CZ) 2017-02-15 EP disclosed
WO-2015154732-A1 PLANT STIMULATORS, USE THEREOF AND METHOD OF PLANT STIMULATION AGRA GROUP A.S. (CZ) 2015-10-15 WO disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
EP-0952847-A4 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS THERMOGEN INC (US) 2003-09-03 EP disclosed
US-6218167-B1 NUCLEIC ACID SEQUENCE ENCODING ESTERASE ENZYMES CHARACTERIZED BY THE ABILITY TO REMAIN STABLE AT CERTAIN TEMPERATURES, SUBSTRATE SPECIFICITIES, AND ACTIVITY PROFILE; CELLS TRANSFORMED WITH NUCLEIC ACID THERMOGEN, INC. 2001-04-17 US disclosed
US-6218163-B1 PURIFIED ESTERASE ISOLATED FROM THERMUS, BACILLUS, OR ACTINOMYCES; RESOLUTION OF RACEMIC MIXTURES/DRUGS THERMOGEN, INC. 2001-04-17 US disclosed
EP-1073668-A2 SOLUTION PHASE BIOPOLYMER SYNTHESIS Köster, Hubert (US) 2001-02-07 EP disclosed
EP-1005556-A2 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS Thermogen, Inc. (US) 2000-06-07 EP disclosed
WO-1999055718-A2 SOLUTION PHASE BIOPOLYMER SYNTHESIS KOESTER HUBERT (US) 1999-11-04 WO disclosed
US-5969121-A NUCLEIC ACID SEQUENCE THAT ENCODES ESTERASE PROTEIN FOR COMMERCIAL USE THERMOGEN, INC. (US) 1999-10-19 US disclosed
WO-1998046770-A9 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS 1999-03-18 WO disclosed
WO-1998046770-A2 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS THERMOGEN, INC. (US) 1998-10-22 WO disclosed
WO-1997025058-A1 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS THERMOGEN, INC. (US) 1997-07-17 WO disclosed
US-5164499-A Nitroaryl carbonyl compounds, nitrodihydroaryl carbonyl intermediates thereto, and processes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-17 US disclosed
EP-0211759-B1 Pyrimido[2,1-b]benzothiazole derivatives and their salts, process for their preparation, use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1991-04-17 EP disclosed
US-4912220-A Mixing a nitroaryl compound with an unsaturated silane under anhydrous conditions; adding a fluoride compound and an electrophilic compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-27 US disclosed
US-4743690-A NITROARYL COMPOUND, SILANE, FLUORO ONIUM COMPOUND, BROMIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-05-10 US disclosed
US-4659862-A Process of preparing nitrodihydroaryl carbonyl compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-04-21 US disclosed
EP-0211759-A2 Pyrimido[2,1-b]benzothiazole derivatives and their salts, process for their preparation, use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1987-02-25 EP disclosed