SCHEMBL475205

SCHEMBL475205

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

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.72
TSHR P16473 2/20 0.72
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CTSD P07339 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL475201 1.00 CYP1A2 (0.72) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL4726270 0.88 CYP1A2 (0.68) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL4726276 0.88 CYP1A2 (0.68) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL7736134 0.86 CYP1A2 (0.57) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL10505139 0.86 CYP1A2 (0.57) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL7732976 0.86 CYP1A2 (0.57) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL9479735 0.85 CYP1A2 (0.74) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL3969391 0.85 CYP1A2 (0.65) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL3969388 0.85 CYP1A2 (0.65) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL11624953 0.84 CYP1A2 (0.57) CYP1A2TSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411510-A2 CAL A-RELATED ACYLTRANSFERASES AND METHODS OF USE, THEREOF Danisco US Inc. (US) 2012-02-01 EP claimed
WO-2010111143-A2 CAL A-RELATED ACYLTRANSFERASES AND METHODS OF USE, THEREOF DANISCO US INC. (US) 2010-09-30 WO claimed
CN-121735779-A New synthetic preparation method of medical intermediate 2- (4-nitrophenyl) butyric acid 内蒙古宜达化学科技有限公司 2026-03-27 CN disclosed
CN-119395197-A Detection method of genotoxic impurity o-methylbenzaldehyde in indobufen 湖南方盛制药股份有限公司 2025-02-07 CN disclosed
WO-2024098050-A1 CURVED OPTICAL DEVICES, AND METHODS FOR MAKING SAME ALPHAMICRON INCORPORATED (US) 2024-05-10 WO disclosed
CN-117844523-A Separation method of low-rank coal white rot fungi liquefied products 黔南民族师范学院 2024-04-09 CN disclosed
WO-2024073046-A1 PHOTOVOLTAIC STRUCTURES HAVING A COMPOSITE CONDUCTOR ENERGY MATERIALS CORPORATION (US) 2024-04-04 WO disclosed
CN-114516799-B Synthesis method of indobufen key intermediate 2- (4-nitrophenyl) butyric acid 杭州中美华东制药有限公司 2024-02-20 CN disclosed
CN-114380694-B Synthesis method for preparing indobufen intermediate by continuous flow 拓信达(启东)医药生物科技有限公司 2024-02-09 CN disclosed
US-11414641-B2 Article and method for detecting aerobic bacteria 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-08-16 US disclosed
CN-114516799-A Synthesis method of indobufen key intermediate 2- (4-nitrophenyl) butyric acid 杭州中美华东制药有限公司 2022-05-20 CN disclosed
US-5188937-A Binding of signal antibody to antigen BECTON, DICKINSON AND COMPANY (US) 1993-02-23 US disclosed
EP-0501526-A2 Fluoroketones as blocked enzyme inhibitors for use in immunoassays Becton, Dickinson and Company (US) 1992-09-02 EP disclosed
US-4962024-A ADDING SECOND ENZYME AND BLOCKED FLUOROKETONE INHIBITOR OF THE SECOND ENZYME BECTON, DICKINSON AND COMPANY (US) 1990-10-09 US disclosed
EP-0369657-A2 Chromogenic substrate for esterase and immunoassay using same Becton, Dickinson and Company (US) 1990-05-23 EP disclosed
EP-0369361-A2 Immunoassay on a preblocked solid surface Becton, Dickinson and Company (US) 1990-05-23 EP disclosed
US-4835099-A Signal enhancement in immunoassay by modulation of enzymatic catalysis BECTON, DICKINSON AND COMPANY (US) 1989-05-30 US disclosed
EP-0271731-A2 Signal enhancement in immunoassay by inhibition of enzymatic catalysis Becton, Dickinson and Company (US) 1988-06-22 EP disclosed
EP-0268452-A2 Novel hydrolase and method of production GENENCOR, INC. (US) 1988-05-25 EP disclosed
EP-0268456-A2 Enzymatic peracid bleaching system The Clorox Company (US) 1988-05-25 EP disclosed