SCHEMBL3129239

SCHEMBL3129239

C/C(=C\c1ccccc1O)C(=O)OCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.52
▸ AKR1B10 O60218 5/20 0.46
▸ AKR1B1 P15121 5/20 0.46
▸ TTR P02766 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ ALOX12 P18054 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ APP P05067 2/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GMNN O75496 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ FYN P06241 1/20 0.46

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
SCHEMBL3129250 1.00 ALOX5 (0.52) ALOX5AKR1B10AKR1B1TTRCYP3A4
SCHEMBL13478915 0.86 ALOX5 (0.40) ALOX5ALDH1A1SMN1; SMN2TSHR
SCHEMBL28385950 0.84 ALDH1A1 (0.44) MAPK1APPESR1KDM4EMEN1
SCHEMBL29211156 0.82 ALOX5 (0.48) ALOX5AKR1B10AKR1B1TTRCYP3A4
SCHEMBL3123681 0.81 MAPT (0.50) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL3123693 0.81 MAPT (0.50) MAPK1KDM4EMEN1ALDH1A1LMNA
SCHEMBL873497 0.81 HCAR2 (0.54) ALOX5AKR1B10AKR1B1TTRCYP3A4
SCHEMBL872898 0.81 HCAR2 (0.54) ALOX5AKR1B10AKR1B1TTRCYP3A4
SCHEMBL872900 0.81 HCAR2 (0.54) ALOX5AKR1B10AKR1B1TTRCYP3A4
SCHEMBL3292422 0.78 AKR1B10 (0.53) ALOX5AKR1B10AKR1B1TTRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936211-B1 Aryl-acrylic acid esters useful as precursors for organoleptic compounds GIVAUDAN SA (CH) 2010-07-07 — — EP claimed
EP-0936211-B1 Aryl-acrylic acid esters useful as precursors for organoleptic compounds GIVAUDAN SA (CH) 2010-07-07 — — EP disclosed
US-6096918-A USEFUL FOR THE DELIVERY OF ORGANOLEPTIC COMPOUNDS, ESPECIALLY FOR FLAVORS, FRAGRANCES, MASKING AGENTS AND ANTIMICROBIAL COMPOUNDS. THEY CAN ALSO DELIVER FLUORESCENT WHITENING AGENTS. GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 2000-08-01 — — US disclosed
EP-0936211-A2 Aryl-acrylic acid esters useful as precursors for organoleptic compounds Givaudan Roure (International) S.A. (CH) 1999-08-18 — — EP disclosed
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