SCHEMBL6545193

SCHEMBL6545193

CCOC(=O)C1=COCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
CA14 Q9ULX7 4/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL3903003 0.82 ALDH1A1 (0.38) LMNAALDH1A1KDM4EL3MBTL1NPC1
SCHEMBL6544936 0.79
SCHEMBL4304979 0.79
SCHEMBL6548346 0.77 CYP3A4 (0.46) LMNAALDH1A1KDM4ETSHRCA1
SCHEMBL27221149 0.75 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRL3MBTL1CA12
SCHEMBL43932 0.74
SCHEMBL12463565 0.73
SCHEMBL5472002 0.72 ALDH1A1 (0.48) LMNAALDH1A1KDM4ETSHRESR1
SCHEMBL15548221 0.70 ALDH1A1 (0.43) LMNAALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL10447298 0.70 TSHR (0.48) LMNAALDH1A1KDM4ETSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4146657-A1 CONDENSED ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES BASF SE (DE) 2023-03-15 EP disclosed
EP-1250330-B1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEM CO (US) 2004-01-07 EP disclosed
EP-1250330-A1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2002-10-23 EP disclosed
WO-2001055127-A1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2001-08-02 WO disclosed
US-6184394-B1 ALKYL 3-FUROATES FROM 4-ACYL-2,3-DIHYDROFURANS FROM 4-ACYL-2,3-DIHYDRO-FURANS BY HALOGENATING IN THE PRESENCE OF AN ALKANOL FOLLOWED BY CONTACTING WITH A STRONG BASE; DRUGS; ANTINFLAMMATORY AND -FOULING AGENTS EASTMAN CHEMICAL COMPANY 2001-02-06 US disclosed