SCHEMBL482954

SCHEMBL482954

CCOc1ccccc1[O]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 5/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GLA P06280 1/20 0.55
HCRTR1 O43613 2/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PTPRC P08575 1/20 0.44
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK10 P53779 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43

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
SCHEMBL843970 0.84 L3MBTL1 (0.50) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL29428929 0.84 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
1,2-Diethoxybenzene SCHEMBL578986 0.84 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL49257 0.82 CYP1A2 (0.60) L3MBTL1MAPTNPSR1GAACYP2C19
SCHEMBL843196 0.81 MAPT (0.56) ALDH1A1L3MBTL1MAPTNPSR1CYP2C19
SCHEMBL7929775 0.80 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL55705 0.80 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL2042318 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTNPSR1GLA
SCHEMBL991234 0.79 LMNA (0.58) ALDH1A1L3MBTL1MAPTNPSR1CYP2C19
SCHEMBL991604 0.79 LMNA (0.58) ALDH1A1L3MBTL1MAPTNPSR1CYP2C19

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 1167 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117831652-A Prediction method of olefin hydroformylation positive-to-negative ratio 上海华谊控股集团有限公司 2024-04-05 CN claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
US-20200207910-A1 Alkoxylated Polycarboxylic Acid Esters CLARIANT INTERNATIONAL LTD. (CH) 2020-07-02 US claimed
EP-3661992-A1 ALKOXYLATED POLYCARBOXYLIC ACID ESTERS Clariant International Ltd (CH) 2020-06-10 EP claimed
EP-3649181-A1 ALKOXYLATED POLYCARBOXYLIC ACID AMIDES Clariant International Ltd (CH) 2020-05-13 EP claimed
CN-110832009-A Alkoxylated polycarboxylic acid amides 科莱恩国际有限公司 2020-02-21 CN claimed
CN-110832005-A Alkoxylated polycarboxylates 科莱恩国际有限公司 2020-02-21 CN claimed
WO-2019007637-A1 ALKOXYLATED POLYCARBOXYLIC ACID AMIDES CLARIANT INTERNATIONAL LTD (CH) 2019-01-10 WO claimed
WO-2019007636-A1 ALKOXYLATED POLYCARBOXYLIC ACID ESTERS CLARIANT INTERNATIONAL LTD (CH) 2019-01-10 WO claimed
EP-3424976-A1 ALKOXYLATED POLYCARBOXYLIC ACID ESTERS Clariant International Ltd (CH) 2019-01-09 EP claimed
EP-0557308-B2 SYNERGISTIC HERBICIDAL AGENT AVENTIS CROPSCIENCE GMBH (DE) 2001-03-28 EP claimed
EP-0557308-B1 SYNERGISTIC HERBICIDAL AGENT HOECHST SCHERING AGREVO GMBH (DE) 1998-03-04 EP claimed
US-5599769-A Synergistic herbicidal compositions comprising glyphosate or glufosinate in combination with a sulfonylurea herbicide HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-04 US claimed
US-5569761-A REACTING SULFONAMIDO DERIVATIVES WITH AMINE SUBSTITUTED TRIAZINE OR PYRIMIDINE DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-29 US claimed
EP-0234573-B1 Reactive-dye-containing aqueous liquid composition SUMITOMO CHEMICAL CO (JP) 1993-12-29 EP claimed
EP-0557308-A1 SYNERGISTIC HERBICIDAL AGENT Hoechst Schering AgrEvo GmbH (DE) 1993-09-01 EP claimed
WO-1992008353-A1 SYNERGISTIC HERBICIDAL AGENT HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-29 WO claimed
US-4585574-A POSITIVE DIELECTRIC ANISOTROPY BAYER AKTIENGESELLSCHAFT (DE) 1986-04-29 US claimed
EP-0054217-B1 ANTHRAQUINONE DYES, PROCESS FOR THEIR PREPARATION, THEIR USE, AS WELL AS LIQUID-CRYSTAL MATERIAL CONTAINING ANTHRAQUINONE DYES BAYER AG (DE) 1984-06-27 EP claimed
EP-0054217-A1 Anthraquinone dyes, process for their preparation, their use, as well as liquid-crystal material containing anthraquinone dyes BAYER AG (DE) 1982-06-23 EP claimed