SCHEMBL9505374

SCHEMBL9505374

CCCCC/C=C\C=C\CCCCCCC(O)C(O)(O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
GPR132 Q9UNW8 1/20 0.56
FASN P49327 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
FAAH O00519 4/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL6383520 0.95 FASN (0.51) PPARGGPR132FASNMEN1KMT2A
SCHEMBL7874876 0.94 FFAR1 (0.52) PPARGGPR132KMT2AFFAR1FFAR4
SCHEMBL27668986 0.94 FFAR1 (0.52) PPARGGPR132KMT2AFFAR1FFAR4
SCHEMBL8632033 0.94 FFAR1 (0.52) PPARGGPR132KMT2AFFAR1FFAR4
SCHEMBL8632039 0.94 FFAR1 (0.52) PPARGGPR132KMT2AFFAR1FFAR4
SCHEMBL7771650 0.93 FASN (0.51) PPARGGPR132FASNMEN1KMT2A
Glycerin SCHEMBL4267527 0.88 FFAR1 (0.51) PPARGKMT2AFFAR1FFAR4FAAH
SCHEMBL7148025 0.87 GPR84 (0.53) MEN1KMT2AFFAR1FFAR4
SCHEMBL9297272 0.87 GPR84 (0.53) MEN1KMT2AFFAR1FFAR4
SCHEMBL325989 0.87 GPR84 (0.53) MEN1KMT2AFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0437694-B1 Use of a hydroxyoctadécadiene acid, its keto-oxydized acid and their derivatives in the treatment of estrogen-dependent diseases, and pharmaceutical compositions thereof Boots Pharma GmbH (DE) 1993-06-16 EP disclosed
US-5102912-A Antitumor, anticancer agents KANOLDT ARZNEIMITTEL GMBH (DE) 1992-04-07 US disclosed
EP-0437694-A1 Use of a hydroxyoctadécadiene acid, its keto-oxydized acid and their derivatives in the treatment of estrogen-dependent diseases, and pharmaceutical compositions thereof Boots Pharma GmbH (DE) 1991-07-24 EP disclosed