SCHEMBL1064971

SCHEMBL1064971

CC(C(N)=O)c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.60
ESR1 P03372 5/20 0.52
ESR2 Q92731 4/20 0.52
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APP P05067 1/20 0.42
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 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
Hydrochloric Acid SCHEMBL15663072 0.98 EPHX1 (0.58) EPHX1ESR1ESR2PDCD1CD274
SCHEMBL455795 0.89 EPHX1 (0.50) EPHX1ESR1ESR2PDCD1CD274
SCHEMBL3054675 0.82 EPHX1 (0.60) EPHX1SMN1; SMN2APPLMNACYP2C19
SCHEMBL964721 0.82 EPHX1 (0.60) EPHX1ESR1GAAAPPLMNA
SCHEMBL13446952 0.82 EPHX1 (0.60) EPHX1ESR1GAAAPPLMNA
SCHEMBL3261236 0.82 EPHX1 (0.60) EPHX1ESR1GAAAPPLMNA
SCHEMBL16750533 0.82 EPHX1 (0.60) EPHX1SMN1; SMN2APPLMNACYP2C19
SCHEMBL11749792 0.81 ESR1 (0.56) ESR1ESR2PDCD1CD274MAPT
SCHEMBL7794207 0.80 EPHX1 (0.58) EPHX1APPCYP3A4LMNACYP1A2
SCHEMBL2055564 0.80 EPHX1 (0.58) EPHX1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108387652-B Method for detecting impurities in compound paracetamol diphenhydramine tablets 四川省食品药品检验检测院 2021-03-02 CN claimed
CN-104030941-A Synthesis method of 3-(4-hydroxyphenyl)propanamide UNIV CHANGZHOU 2014-09-10 CN claimed
CN-101336227-A Nuclear receptor binding agents GTX INC (US) 2008-12-31 CN claimed
CN-101296698-A Combination of compounds for the treatment of respiratory diseases, in particular Chronic Obstructive Pulmonary Disease (COPD) and asthma ASTRAZENECA AB (SE) 2008-10-29 CN claimed
CN-101296701-A A combination of compounds, which can be used in the treatment of respiratory diseases, especially chronic obstructive pulmonary disease (COPD) and asthma ASTRAZENECA AB (SE) 2008-10-29 CN claimed
EP-1565446-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-24 EP claimed
WO-2004048343-A1 CHK-, PDK- AND AKT-INHIBITORY PYRIMIDINES, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-10 WO claimed
WO-2025038820-A1 NYLON COMPOSITIONS SCI-LUME LABS, INC. (US) 2025-02-20 WO disclosed
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed
CN-116144153-A Functional master batch and preparation method and application thereof 山东睿安新材料科技有限公司 2023-05-23 CN disclosed
WO-2023044590-A1 POLYMERIC BATCH TO PREPARE AN ANTIMICROBIAL MATERIAL AND AIR FILTER IMPORTADORA Y EXPORTADORA JCN LIMITADA (CL) 2023-03-30 WO disclosed
CN-114671863-A Deuterated sufentanil derivative and pharmaceutical composition containing same 三峡大学 2022-06-28 CN disclosed
CN-108387652-B Method for detecting impurities in compound paracetamol diphenhydramine tablets 四川省食品药品检验检测院 2021-03-02 CN disclosed
US-5252252-A Longitudinal polarization MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-10-12 US disclosed
US-5120467-A Longitudinal polarization and-or cross-polarization MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-06-09 US disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4723005-A CONTAINING POLARIZED CYANO OR HALOGEN SUBSTITUENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-02-02 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
EP-0139996-B1 ANISOTROPIC COMPOUNDS AND LIQUID CRYSTAL MIXTURES MERCK PATENT GmbH (DE) 1987-11-04 EP disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed