SCHEMBL15744226

SCHEMBL15744226

CC(C)=CCC/C(C)=C/CC[C@]1(C)CCc2c(O)cc3c(c2O1)CN(CC(C)C(=O)O)C3=O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 17/20 0.54
▸ PTGES O14684 2/20 0.45
▸ NR1I2 O75469 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44

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
SCHEMBL24632221 0.87 ALOX5 (0.49) ALOX5NR1I2PPARGPPARA
SCHEMBL10065701 0.87 PSEN1 (0.40) ALOX5PTGES
SCHEMBL9882380 0.86 ALOX5 (0.40) ALOX5PTGESNR1I2
SCHEMBL23940981 0.86 ALOX5 (0.40) ALOX5PTGESNR1I2
SCHEMBL24632197 0.80 ALOX5 (0.43) ALOX5NR1I2PPARGPPARA
SCHEMBL24221316 0.80 ALOX5 (0.44) ALOX5PTGESNR1I2PPARGPPARA
SCHEMBL23941478 0.78 ALOX5 (0.35) ALOX5PTGESNR1I2PPARGPPARA
SCHEMBL9880202 0.77 ALOX5 (0.45) ALOX5PTGES
SCHEMBL9880204 0.77 ALOX5 (0.45) ALOX5PTGES
SCHEMBL13663952 0.77 ALOX5 (0.35) ALOX5PTGESNR1I2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2452679-B1 TRIPRENYLPHENOLIC CYTOPROTECTIVE AGENT UNIV TOKYO NAT UNIV CORP (JP) 2014-05-28 — — EP disclosed
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