SCHEMBL3032142

SCHEMBL3032142

O=C(O)CCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
KCNH2 Q12809 3/20 0.58
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
MMP2 P08253 1/20 0.51

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
Acetic Acid SCHEMBL27483981 0.94 MAPT (0.59) MAPTMEN1KMT2AL3MBTL1KCNH2
SCHEMBL38644 0.92 SRD5A2 (0.60) MAPTMEN1KMT2AL3MBTL1KCNH2
SCHEMBL4656215 0.92 DRD2 (0.57) MAPTMEN1KMT2AL3MBTL1KCNH2
SCHEMBL31410112 0.91 MAPT (0.56) MAPTMEN1KMT2AL3MBTL1KCNH2
SCHEMBL4612581 0.90 MAPT (0.57) MAPTMEN1KMT2AL3MBTL1KCNH2
SCHEMBL831256 0.89 MAPT (0.58) MAPTMEN1KMT2AL3MBTL1KCNH2
SCHEMBL4832130 0.89 MAPT (0.58) MAPTMEN1KMT2AL3MBTL1KCNH2
SCHEMBL93219 0.89 MAPT (0.58) MAPTMEN1KMT2AL3MBTL1KCNH2
SCHEMBL28536387 0.89 MAPT (0.58) MAPTMEN1KMT2AL3MBTL1KCNH2
SCHEMBL4472174 0.84 MAPT (0.51) MAPTMEN1KMT2AL3MBTL1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062671-B Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2021-02-09 CN claimed
CN-112062671-A Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2020-12-11 CN claimed
CN-107986972-A A kind of 3- (4-nitrophenoxy) propionic acid preparation method 潍坊润安化学科技有限公司 2018-05-04 CN claimed
JP-9268186-A None JP disclosed
CN-112062671-B Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2021-02-09 CN disclosed
CN-112062671-B Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2021-02-09 CN disclosed
CN-112062671-A Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2020-12-11 CN disclosed
CN-112062671-A Preparation method of R- (+) -2- (4-hydroxyphenoxy) propionic acid 苏州开元民生科技股份有限公司 2020-12-11 CN disclosed
CN-107835817-B Esters of steroid amides and bis (2-chloroethyl) aminophenoxypropionic acid derivatives 格林尼卡股份公司 2020-04-21 CN disclosed
CN-108440404-A Antitumor drug and its preparation method and application with multiple kinase inhibitory activity 西安凯伦生物科技有限公司 2018-08-24 CN disclosed
CN-107986972-A A kind of 3- (4-nitrophenoxy) propionic acid preparation method 潍坊润安化学科技有限公司 2018-05-04 CN disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
JP-H09268186-A PRODUCTION OF 4-CHROMANONES MITSUI TOATSU CHEM INC 1997-10-14 JP disclosed
EP-0208420-B1 THIAZOLIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-09-18 EP disclosed
US-4775687-A ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-10-04 US disclosed
EP-0208420-A1 Thiazolidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-01-14 EP disclosed
US-4255511-A HYDRAZIDO SUBSTITUTED AROMATIC THIOUREAS FUJI PHOTO FILM CO., LTD. (JP) 1981-03-10 US disclosed
US-4243739-A HYDRAZIDE FUJI PHOTO FILM CO., LTD. (JP) 1981-01-06 US disclosed
US-4086240-A 1-Thiazolyl-5-phenoxy and phenylthioalkanoyloxyimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1978-04-25 US disclosed
US-4053480-A 1-THIADIAZOLYL-5-PHENOXY- AND PHENYLTHIOALKANOYLOXY IMIDAZOLIDINONES VELSICOL CHEMICAL CORPORATION (US) 1977-10-11 US disclosed