SCHEMBL6665594

SCHEMBL6665594

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[C@@H](CO)C(O)C(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
KDM4E B2RXH2 3/20 0.50
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
DUSP3 P51452 1/20 0.50
PTPN7 P35236 1/20 0.50
FFAR1 O14842 1/20 0.50
LMNA P02545 1/20 0.50
FABP3 P05413 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP19A1 P11511 1/20 0.50
FABP4 P15090 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL7194283 1.00 ALDH1A1 (0.57) ALDH1A1CNR1CNR2KDM4EF7
SCHEMBL6718800 1.00 ALDH1A1 (0.57) ALDH1A1CNR1CNR2KDM4EF7
SCHEMBL30719072 0.96 DGKA (0.51) ALDH1A1CNR1CNR2F7F3
SCHEMBL12987705 0.88 CES2 (0.44) KDM4EDUSP3LMNA
Phosphocholine SCHEMBL669518 0.86 S1PR1 (0.49) ALDH1A1CNR1CNR2
SCHEMBL3220207 0.86 PRKCA (0.49) ALDH1A1CNR1CNR2KDM4EF7
SCHEMBL9055934 0.85 FAAH (0.62) ALDH1A1CNR1CNR2DUSP3PTPN7
SCHEMBL6250351 0.85 FAAH (0.62) ALDH1A1CNR1CNR2DUSP3PTPN7
SCHEMBL1009099 0.85 FAAH (0.62) ALDH1A1CNR1CNR2DUSP3PTPN7
SCHEMBL6250325 0.85 FAAH (0.62) ALDH1A1CNR1CNR2DUSP3PTPN7

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-2004006910-A1 LIPID OXIDATION PRODUCTS FOR INHIBITING INFLAMMATION LEITINGER NORBERT (AT) 2004-01-22 WO disclosed