SCHEMBL7499996

SCHEMBL7499996

CCCCCCCCCCC(CCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCC(=O)O)C(=O)OCCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 6/20 0.50
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 3/20 0.49
S1PR4 O95977 2/20 0.49
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
PPARA Q07869 1/20 0.45
ALDH1A1 P00352 1/20 0.45
S1PR5 Q9H228 1/20 0.45
FAAH O00519 2/20 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
Dodecanoate SCHEMBL28099951 0.83 PLA2G4B (0.68) PLA2G4BGAAL3MBTL1PPARAFAAH
SCHEMBL25248182 0.81 GPR84 (0.55) PPARAALDH1A1
SCHEMBL5047641 0.81 GPR84 (0.55) PPARAALDH1A1
SCHEMBL298303 0.81 MBOAT4 (0.47) L3MBTL1PPARAALDH1A1
SCHEMBL5351714 0.80 DGKA (0.66) PLA2G4BHDAC1HDAC2FAAH
SCHEMBL5350282 0.80 DGKA (0.66) PLA2G4BHDAC1HDAC2FAAH
SCHEMBL5352197 0.80 DGKA (0.66) PLA2G4BHDAC1HDAC2FAAH
SCHEMBL5354673 0.80 DGKA (0.66) PLA2G4BHDAC1HDAC2FAAH
SCHEMBL11713345 0.80 DGKA (0.66) PLA2G4BHDAC1HDAC2FAAH
SCHEMBL5355662 0.80 DGKA (0.66) PLA2G4BHDAC1HDAC2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198447-A4 FATTY ACID ESTERS OF AROMATIC ALCOHOLS AND THEIR USE IN COSMETIC FORMULATIONS ALZO INC (US) 2002-09-04 EP disclosed
EP-1198447-A1 FATTY ACID ESTERS OF AROMATIC ALCOHOLS AND THEIR USE IN COSMETIC FORMULATIONS Alzo, Inc. (US) 2002-04-24 EP disclosed
US-6365629-B1 LIQUID DRY EMOLLIENTS ALTO, INC. 2002-04-02 US disclosed
WO-2000068176-A1 FATTY ACID ESTERS OF AROMATIC ALCOHOLS AND THEIR USE IN COSMETIC FORMULATIONS ALZO, INC. (US) 2000-11-16 WO disclosed