SCHEMBL20634813

SCHEMBL20634813

CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC1(C)CCc2c(cc(C)c(OC(=O)CCC(P(=O)(O)O)P(=O)(O)N=O)c2C)O1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.43
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
NR1I2 O75469 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
SCHEMBL20634812 0.94 ALOX5 (0.48) ALOX5PPARGPPARANR1I2
SCHEMBL20636232 0.87 ALOX5 (0.44) ALOX5PPARGPPARANR1I2
SCHEMBL20636306 0.84 ALOX5 (0.43) ALOX5PPARGPPARANR1I2
SCHEMBL24970341 0.83 ALOX5 (0.46) ALOX5PPARGPPARANR1I2
SCHEMBL18349218 0.83 ALOX5 (0.56) ALOX5PPARGPPARANR1I2
SCHEMBL20636230 0.81 ALOX5 (0.54) ALOX5
SCHEMBL20636309 0.78 ALOX5 (0.55) ALOX5PPARGPPARANR1I2
SCHEMBL10307806 0.77 ALOX5 (0.52) ALOX5PPARGPPARANR1I2
SCHEMBL20634810 0.76 ALOX5 (0.66) ALOX5PPARGPPARANR1I2
SCHEMBL10307487 0.75 ALOX5 (0.56) ALOX5PPARGPPARANR1I2

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
WO-2019007447-A1 MULTIFUNCTIONAL CONJUGATES E.P.O.S IASIS RESEARCH AND DEVELOPMENT LIMITED (CY) 2019-01-10 WO disclosed