SCHEMBL9446396

SCHEMBL9446396

CCCCCCCCCCCCCCCCCC(=O)NC(OP(=O)(O)O)C(C)OCCCCCCCCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
FAAH O00519 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
LPAR3 Q9UBY5 4/20 0.48
PLA2G4A P47712 5/20 0.46
DEGS1 O15121 1/20 0.42
ASAH1 Q13510 1/20 0.42
PLA2G2C Q5R387 1/20 0.42
ENPP2 Q13822 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
DNM1 Q05193 1/20 0.41

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
SCHEMBL9446398 0.91 PLA2G4A (0.50) MEN1FAAHMAPK1KMT2ALPAR3
SCHEMBL9446399 0.83 FAAH (0.54) MEN1FAAHMAPK1KMT2ALPAR3
SCHEMBL9446403 0.81 MEN1 (0.55) MEN1FAAHMAPK1KMT2ALPAR3
SCHEMBL9446402 0.80 SMPD1 (0.44) LPAR3LPAR1LPAR2
SCHEMBL2441860 0.76 FAAH (0.51) MEN1FAAHMAPK1KMT2ALPAR3
SCHEMBL28058368 0.75 MEN1 (0.53) MEN1FAAHMAPK1KMT2ALPAR3
SCHEMBL15709298 0.75 MEN1 (0.53) MEN1FAAHMAPK1KMT2ALPAR3
SCHEMBL18139522 0.72 LPAR3 (0.55) LPAR3LPAR1LPAR2
SCHEMBL4242513 0.72 LPAR3 (0.55) LPAR3LPAR1LPAR2
SCHEMBL18141137 0.72 LPAR3 (0.55) LPAR3LPAR1LPAR2

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-0533825-A4 ETHER LIPID-NUCLEOSIDE COVALENT CONJUGATES 1993-06-02 EP disclosed
EP-0533825-A1 ETHER LIPID-NUCLEOSIDE COVALENT CONJUGATES. UNIV WAKE FOREST (US) 1993-03-31 EP disclosed