SCHEMBL11531304

SCHEMBL11531304

CCCCCCCCCCCCCCC(Oc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.64
PPARG P37231 13/20 0.58
PTGES O14684 1/20 0.58
ALOX5 P09917 1/20 0.58
PPARA Q07869 14/20 0.57
FOLH1 Q04609 1/20 0.50
ALDH2 P05091 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL4002558 1.00 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL28763254 1.00 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL7553803 1.00 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL570688 1.00 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL4002165 1.00 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL22828775 1.00 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL15903011 1.00 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL6342298 1.00 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL4001414 1.00 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA
SCHEMBL11790859 1.00 CTRC (0.64) CTRCPPARGPTGESALOX5PPARA

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
US-4156090-A Polyene compounds HOFFMANN-LA ROCHE INC. (US) 1979-05-22 US disclosed