SCHEMBL26508154

SCHEMBL26508154

CCCCCCCC/C=C\CCCCCCCC(=O)NC(CC)COC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.59
PLA2G4A P47712 1/20 0.59
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CNR2 P34972 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
FAAH O00519 2/20 0.52
ASAH2 Q9NR71 1/20 0.52
DEGS1 O15121 1/20 0.52
CNR1 P21554 1/20 0.51
CETP P11597 1/20 0.51

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
SCHEMBL2058960 0.88 FAAH (0.60) LPAR3PLA2G4AFAAHASAH2DEGS1
SCHEMBL13126062 0.85 LPAR3 (0.56) LPAR3PLA2G4AALDH1A1TP53FAAH
SCHEMBL13126054 0.85 LPAR3 (0.56) LPAR3PLA2G4AALDH1A1TP53FAAH
SCHEMBL13109928 0.84 LPAR3 (0.82) LPAR3PLA2G4A
SCHEMBL13109929 0.84 LPAR3 (0.82) LPAR3PLA2G4A
SCHEMBL22986875 0.84 PLA2G4A (0.67) LPAR3PLA2G4AFAAHASAH2DEGS1
SCHEMBL7622257 0.84 DEGS1 (0.63) LPAR3PLA2G4AALDH1A1CNR2FAAH
SCHEMBL22986814 0.84 PLA2G4A (0.67) LPAR3PLA2G4AFAAHASAH2DEGS1
SCHEMBL14010922 0.84 DEGS1 (0.63) LPAR3PLA2G4AALDH1A1CNR2FAAH
SCHEMBL7621349 0.84 DEGS1 (0.63) LPAR3PLA2G4AALDH1A1CNR2FAAH

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-2023193341-A1 SPHINGOLIPID COMPOUND, LIPOSOME CONTAINING SPHINGOLIPID COMPOUND, AND APPLICATION 澳门科技大学 2023-10-12 WO disclosed