SCHEMBL4619981

SCHEMBL4619981

CCCCC/C=C\C/C=C\C/C=C\CCCCCC(O)C(O)CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
TRPV1 Q8NER1 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
F7 P08709 3/20 0.49
F3 P13726 3/20 0.49
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
DUSP3 P51452 1/20 0.49
PTPN7 P35236 1/20 0.49
KDM4E B2RXH2 1/20 0.49
FFAR1 O14842 1/20 0.49
LMNA P02545 1/20 0.49
FABP3 P05413 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP19A1 P11511 1/20 0.49
FABP4 P15090 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL2710460 1.00 ALDH1A1 (0.53) ALDH1A1CNR1CNR2TRPV1TRPM8
SCHEMBL3992125 0.98 CNR1 (0.54) ALDH1A1CNR1CNR2TRPV1TRPM8
SCHEMBL382168 0.98 CNR1 (0.54) ALDH1A1CNR1CNR2TRPV1TRPM8
SCHEMBL8574566 0.95 SPHK1 (0.53) ALDH1A1KDM4EFFAR1LMNACYP3A4
SCHEMBL314278 0.95 SPHK1 (0.53) ALDH1A1KDM4EFFAR1LMNACYP3A4
SCHEMBL27454783 0.95 SPHK1 (0.53) ALDH1A1KDM4EFFAR1LMNACYP3A4
SCHEMBL1101078 0.95 SPHK1 (0.53) ALDH1A1KDM4EFFAR1LMNACYP3A4
SCHEMBL1963079 0.95 SPHK1 (0.53) ALDH1A1KDM4EFFAR1LMNACYP3A4
SCHEMBL1962550 0.95 SPHK1 (0.53) ALDH1A1KDM4EFFAR1LMNACYP3A4
SCHEMBL2232599 0.95 SPHK1 (0.53) ALDH1A1KDM4EFFAR1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885377-A2 STRUCTURED PHOSPHOLIPIDS FOR TREATING AUTOIMMUNE AND NEURODEGENERATIVE DISEASES BTG INTERNATIONAL LIMITED (GB) 2008-02-13 EP disclosed
WO-2006056783-A2 STRUCTURED PHOSPHOLIPIDS FOR TREATING AUTOIMMUNE AND NEURODEGENERATIVE DISEASES BTG INTERNATIONAL LIMITED (GB) 2006-06-01 WO disclosed