SCHEMBL2057249

SCHEMBL2057249

N#CC(=CC(=O)O)c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
KDM4E B2RXH2 3/20 0.46
PARP1 P09874 1/20 0.46
P4HB P07237 3/20 0.43
EGLN2 Q96KS0 1/20 0.43
ALDH1A1 P00352 2/20 0.42
FASN P49327 1/20 0.41
MAPK1 P28482 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 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
SCHEMBL6744132 0.90 L3MBTL1 (0.42) KDM4EPARP1ALDH1A1MAPK1NPC1
SCHEMBL15190627 0.85 CA12 (0.39) CA12CA1CA2CA6CA9
SCHEMBL7821777 0.83 LMNA (0.39) CA12CA1CA2CA6CA9
SCHEMBL305984 0.82 ALDH1A1 (0.46) CA12CA1CA2CA6CA9
SCHEMBL19471869 0.82 ALDH1A1 (0.46) CA12CA1CA2CA6CA9
SCHEMBL670068 0.82 ALDH1A1 (0.46) CA12CA1CA2CA6CA9
SCHEMBL12750212 0.82 PARP1 (0.47) KDM4EPARP1ALDH1A1MAPK1MAPT
SCHEMBL12916804 0.82 PARP1 (0.47) PARP1ALDH1A1NPC1TP53MAPT
SCHEMBL21457230 0.81 P4HB (0.43) CA12CA1CA2CA6CA9
SCHEMBL9468379 0.81 PARP1 (0.46) KDM4EPARP1ALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240096612-A1 METHOD FOR MASS SPECTROMETRY OF ORGANIC SYNTHETIC COMPOUND SHIMADZU CORPORATION (JP) 2024-03-21 US claimed
EP-4293350-A1 METHOD FOR MASS SPECTROMETRY OF ORGANIC SYNTHETIC COMPOUND Shimadzu Corporation (JP) 2023-12-20 EP claimed
CN-116917726-A Mass spectrometry of organic synthetic compounds 株式会社岛津制作所 2023-10-20 CN claimed
US-9885725-B2 MALDI analysis of hydrophobic compounds using 2(3),5-dihydoxybenzoate with a long alkyl chain as an additive to MALDI matrix SHIMADZU CORPORATION (JP) 2018-02-06 US claimed
US-20150276756-A1 MASS SPECTROMETRY METHOD USING MATRIX ADDITIVE HIROSHIMA UNIVERSITY (JP) 2015-10-01 US claimed
US-7354996-B2 Method and kit for quantitative analysis of protein SHIMADZU CORPORATION (JP) 2008-04-08 US claimed
EP-1739419-A1 METHOD OF MEASURING SUBSTANCE BY MASS SPECTROMETRY AND KIT THEREFOR SHIMADZU CORPORATION (JP) 2007-01-03 EP claimed
US-20060051831-A1 Method and kit for quantitative analysis of protein SHIMADZU CORPORATION (JP) 2006-03-09 US claimed
US-20050224710-A1 Method for measuring hydrophobic peptides using maldi mass spectrometer SHIMADZU CORPORATION (JP) 2005-10-13 US claimed
US-20040147493-A1 Synergistic compositions for the selective control of tumor tissue KREUTZ WERNER 2004-07-29 US claimed
EP-1001756-B1 SYNERGISTICALLY ACTING COMPOSITIONS FOR SELECTIVELY COMBATING TUMOR TISSUE KREUTZ WERNER (DE) 2004-04-07 EP claimed
US-20030166621-A1 Synergistic mixture comprising benzoic acid derivatives for use as anticarcinogenic agents, antitumor agents KREUTZ WERNER (DE) 2003-09-04 US claimed
US-5589554-A BASED ON A 2-CYANOACRYLATE THREE BOND CO., LTD. (JP) 1996-12-31 US claimed
CN-116003710-B Polyacrylic polymer modified substrate, preparation method thereof and application thereof in preparation of biochip 中国海洋大学 2025-04-08 CN disclosed
US-20240096612-A1 METHOD FOR MASS SPECTROMETRY OF ORGANIC SYNTHETIC COMPOUND SHIMADZU CORPORATION (JP) 2024-03-21 US disclosed
WO-2024043304-A1 PRETREATMENT METHOD AND MASS SPECTROMETRY METHOD 株式会社島津製作所 2024-02-29 WO disclosed
WO-1990006937-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1990-06-28 WO disclosed
US-4935450-A Cancer therapy system for effecting oncolysis of malignant neoplasms THERAPEUTICAL SYSTEMS CORPORATION (US) 1990-06-19 US disclosed
US-4247597-A Electroscopic carrier particles having a carboxylic acid surface treatment PITNEY BOWES, INC. (US) 1981-01-27 US disclosed
US-3932678-A Novel dihydrochalcone sweetener compositions THE PROCTER & GAMBLE COMPANY (US) 1976-01-13 US disclosed