SCHEMBL26288

SCHEMBL26288

O=CC(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.67
LMNA P02545 3/20 0.62
ALDH1A1 P00352 5/20 0.59
AKR1B10 O60218 2/20 0.57
AKR1B1 P15121 2/20 0.57
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
KMT2A Q03164 1/20 0.57
TTR P02766 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
Water SCHEMBL5221672 0.98 HCAR2 (0.65) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL30556980 0.94 HCAR2 (0.77) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL337503 0.85 HCAR2 (0.89) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL357565 0.85 HCAR2 (0.89) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL337504 0.85 HCAR2 (0.89) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL9395526 0.85 HCAR2 (0.69) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL27840768 0.85 HCAR2 (0.54) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL27659194 0.83 HCAR2 (0.85) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL9067636 0.82 HCAR2 (0.47) HCAR2LMNAALDH1A1AKR1B10AKR1B1
SCHEMBL812094 0.82 HCAR2 (0.65) HCAR2LMNAALDH1A1AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110396080-A A kind of preparation method of Vonoprazan fumarate metabolin and its deuterated object GUANGDONG HEC PHARMACEUTICAL 2019-11-01 CN claimed
EP-2852374-B1 PROCESS FOR DYEING KERATIN FIBRES COMPRISING A DYE/PIGMENT, A PHOTOACTIVE COMPOUND AND A LIGHT SOURCE OREAL (FR) 2019-08-21 EP claimed
WO-2015172058-A1 LEFT-HANDED GAMMA-PEPTIDE NUCLEIC ACIDS, METHODS OF SYNTHESIS AND USES THEREFOR CARNEGIE MELLON UNIVERSITY (US) 2015-11-12 WO claimed
EP-2852374-A1 PROCESS FOR DYEING KERATIN FIBRES COMPRISING A DYE/PIGMENT, A PHOTOACTIVE COMPOUND AND A LIGHT SOURCE L'Oréal (FR) 2015-04-01 EP claimed
WO-2013174871-A1 PROCESS FOR DYEING KERATIN FIBRES COMPRISING A DYE/PIGMENT, A PHOTOACTIVE COMPOUND AND A LIGHT SOURCE L'OREAL (FR) 2013-11-28 WO claimed
EP-1189836-B1 METHOD FOR STABILIZING HYDROGEN PEROXIDE DSM FINE CHEM AUSTRIA GMBH (AT) 2004-03-03 EP claimed
US-6677466-B1 EMPLOYING ONE OR MORE ALPHA-KETO- AND/OR ALDEHYDE- CARBOXYLIC ESTERS AS STABILIZER DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2004-01-13 US claimed
CN-1186803-A Novel bis (mono-and diperoxyoxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ATOCHEM NORTH AMERICA ELF (US) 1998-07-08 CN claimed
US-4525541-A REACTION WITH AN ACETOACETATE COMPOUND NIPPON ZEON CO. LTD. (JP) 1985-06-25 US claimed
CN-115707690-B 3-isoxazolidinone compound, preparation method thereof, weeding composition and application 青岛清原化合物有限公司 2024-04-05 CN disclosed
CN-114728520-B Active energy ray-curable ink and image recording method 富士胶片株式会社 2024-03-08 CN disclosed
CN-114667324-B Active energy ray-curable ink, ink set, and image recording method 富士胶片株式会社 2023-11-21 CN disclosed
CN-115279847-B Active energy ray-curable ink and image recording method 富士胶片株式会社 2023-10-27 CN disclosed
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
US-4122086-A Isopenicillins SMITHKLINE CORPORATION (US) 1978-10-24 US disclosed
US-4108854-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1978-08-22 US disclosed
US-4089956-A 7-Acylamino-8-oxo-3-oxa-1-azabicyclo[4.2.0]octane-2-carboxylic acid derivatives and bactericidal compositions and use thereof SMITHKLINE CORPORATION (US) 1978-05-16 US disclosed
US-4032579-A POLY-UNSATURATED HYDROXY-ALKYNYL CYCLOPENTENOL THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 1977-06-28 US disclosed
US-3997584-A Substituted glycines and intermediates thereof SMITHKLINE CORPORATION (US) 1976-12-14 US disclosed
US-3994954-A Process for preparing substituted glycines SMITHKLINE CORPORATION (US) 1976-11-30 US disclosed