SCHEMBL7705389

SCHEMBL7705389

CCCCCCCC(O)CCC(=O)OCCOC(=O)CCC(O)CCCCCCC

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.63
GPR84 Q9NQS5 5/20 0.59
FFAR4 Q5NUL3 1/20 0.58
FFAR1 O14842 1/20 0.58
NFKB1 P19838 1/20 0.51
KDM4E B2RXH2 1/20 0.51
DUSP3 P51452 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DNM1 Q05193 1/20 0.49
NAAA Q02083 1/20 0.48
FAAH O00519 1/20 0.47
HTR2C P28335 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
SCHEMBL27501113 0.95 GPR84 (0.57) DGKAGPR84FFAR4FFAR1NFKB1
SCHEMBL28073549 0.95 GPR84 (0.57) DGKAGPR84FFAR4FFAR1NFKB1
SCHEMBL8756038 0.95 GPR84 (0.57) DGKAGPR84FFAR4FFAR1NFKB1
SCHEMBL28371742 0.95 GPR84 (0.57) DGKAGPR84FFAR4FFAR1NFKB1
Methane SCHEMBL27958443 0.93 GPR84 (0.56) DGKAGPR84FFAR4FFAR1NFKB1
SCHEMBL29760285 0.93 DGKA (0.69) DGKAGPR84FFAR4FFAR1NFKB1
SCHEMBL750550 0.93 DGKA (0.75) DGKAGPR84FFAR4FFAR1NFKB1
SCHEMBL29760323 0.93 DGKA (0.69) DGKAGPR84FFAR4FFAR1NFKB1
SCHEMBL6861802 0.88 DGKA (0.68) DGKAGPR84FFAR4FFAR1KDM4E
SCHEMBL3487884 0.88 DGKA (0.67) DGKAGPR84FFAR4FFAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US claimed
EP-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 EP claimed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO claimed
US-6369248-B1 HYDROXY ESTERS FOR PERFUMES GIVAUDAN SA (CH) 2002-04-09 US disclosed
EP-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 EP disclosed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO disclosed