SCHEMBL9446402

SCHEMBL9446402

CCCCCCCCCCCCCCCCCCNC(OP(=O)(O)O)C(C)OCCCCCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.44
LPAR3 Q9UBY5 5/20 0.44
LPAR1 Q92633 4/20 0.44
LPAR2 Q9HBW0 2/20 0.44
LPAR5 Q9H1C0 1/20 0.38
S1PR2 O95136 7/20 0.38
S1PR1 P21453 7/20 0.38
S1PR3 Q99500 7/20 0.38
S1PR5 Q9H228 2/20 0.38
S1PR4 O95977 5/20 0.37
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 1/20 0.37
PTPN1 P18031 1/20 0.37
FDPS P14324 2/20 0.37

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
SCHEMBL9446396 0.80 MEN1 (0.49) LPAR3LPAR1LPAR2
SCHEMBL27788146 0.77 SMPD1 (0.53) SMPD1LPAR3LPAR1LPAR2S1PR2
SCHEMBL10591105 0.77 SMPD1 (0.53) SMPD1LPAR3LPAR1LPAR2S1PR2
SCHEMBL2048392 0.75 LPAR3 (0.55) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL18139522 0.75 LPAR3 (0.55) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL18141043 0.75 LPAR3 (0.55) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL4242513 0.75 LPAR3 (0.55) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL18141137 0.75 LPAR3 (0.55) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL18141079 0.75 LPAR3 (0.55) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL18139846 0.75 LPAR3 (0.55) SMPD1LPAR3LPAR1LPAR2LPAR5

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