SCHEMBL1153462

SCHEMBL1153462

CC(OC(C)c1ccco1)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
KMT2A Q03164 5/20 0.40
POLB P06746 4/20 0.40
PKM P14618 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN7 P35236 1/20 0.40
BLM P54132 1/20 0.40
ESR2 Q92731 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 7/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 3/20 0.36
HPGD P15428 3/20 0.36
AGTR1 P30556 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.33

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
SCHEMBL17789934 0.87 ALOX5 (0.37) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL4829955 0.79 ALOX5 (0.38) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL31373341 0.76 ALOX5 (0.39) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL6846713 0.76 ALOX5 (0.40) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL6846708 0.76 ALOX5 (0.40) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL7098541 0.76 TP53 (0.46) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL80874 0.76
SCHEMBL29064582 0.75 KMT2A (0.40) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL11536081 0.74 ALOX5 (0.39) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL1258862 0.73 ALOX5 (0.53) ALOX5KMT2APOLBPKMPTPN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109640681-B Coffee beans with high content of fatty acid methyl esters 三得利控股株式会社 2022-11-29 CN disclosed
CN-109985626-B Method for preparing ethyl furfuryl ether by furfural liquid phase hydrogenation, catalyst and preparation method of catalyst 天津大学 2022-01-14 CN disclosed
EP-2231832-B1 GASOLINE COMPOSITION AND PROCESS FOR THE PREPARATION OF ALKYLFURFURYL ETHER SHELL INT RESEARCH (NL) 2013-05-01 EP disclosed
US-8372164-B2 C1-4 furfuryl alkyl ethers such as furfuryl ethyl ether and/or furfuryl methyl ether as gasoline blending additives for high octane number; made using acidic zeolite catalyst under mild conditions SHELL OIL COMPANY (US) 2013-02-12 US disclosed
US-20110035991-A1 C1-4 furfuryl alkyl ethers such as furfuryl ethyl ether and/or furfuryl methyl ether as gasoline blending additives for high octane number; made using acidic zeolite catalyst under mild conditions SHELL OIL COMPANY (US) 2011-02-17 US disclosed
WO-2009077606-A2 GASOLINE COMPOSITION AND PROCESS FOR THE PREPARATION OF ALKYLFURFURYL ETHER SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2009-06-25 WO disclosed