Benzyl Fumarate

Benzyl Fumarate

SCHEMBL9436009

N.O=C(O)C=CC(=O)OCc1ccccc1

nearest known ligand 0.96

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.96
LMNA P02545 3/20 0.67
AKR1B10 O60218 2/20 0.61
AKR1B1 P15121 2/20 0.61
CA12 O43570 2/20 0.61
CA4 P22748 2/20 0.61
CA6 P23280 2/20 0.61
CA5A P35218 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
CA5B Q9Y2D0 2/20 0.61
TTR P02766 1/20 0.55
ALDH1A1 P00352 8/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52

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
Benzyl Fumarate SCHEMBL9435998 1.00 HCAR2 (0.96) HCAR2LMNAAKR1B10AKR1B1CA12
Benzyl Fumarate SCHEMBL166653 0.98 HCAR2 (1.00) HCAR2LMNAAKR1B10AKR1B1CA12
Benzyl Fumarate SCHEMBL9460386 0.98 HCAR2 (1.00) HCAR2LMNAAKR1B10AKR1B1CA12
Benzyl Fumarate SCHEMBL527836 0.98 HCAR2 (1.00) HCAR2LMNAAKR1B10AKR1B1CA12
Benzyl Fumarate SCHEMBL165231 0.98 HCAR2 (1.00) HCAR2LMNAAKR1B10AKR1B1CA12
Benzyl Fumarate SCHEMBL9436105 0.96 HCAR2 (0.96) HCAR2LMNAAKR1B10AKR1B1CA12
Benzyl Fumarate SCHEMBL10876347 0.96 HCAR2 (0.96) HCAR2LMNAAKR1B10AKR1B1CA12
Benzyl Fumarate SCHEMBL28242442 0.95 HCAR2 (0.93) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL337504 0.92 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL337503 0.92 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12

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
US-5376145-A Using esters, salts amd amides of maleic or fumaric acid in aqueous solution; preventing loss of bulk COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1994-12-27 US disclosed
EP-0393037-B1 TREATMENTS TO IMPROVE THE PROPERTIES OF KERATINOUS TEXTILES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1993-06-09 EP disclosed
EP-0393037-A4 TREATMENTS TO IMPROVE THE PROPERTIES OF KERATINOUS TEXTILES 1991-03-13 EP disclosed
EP-0393037-A1 TREATMENTS TO IMPROVE THE PROPERTIES OF KERATINOUS TEXTILES. COMMW SCIENT IND RES ORG (AU) 1990-10-24 EP disclosed
WO-1989001541-A1 TREATMENTS TO IMPROVE THE PROPERTIES OF KERATINOUS TEXTILES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH OR (AU) 1989-02-23 WO disclosed