SCHEMBL8615080

SCHEMBL8615080

CCCCC[C@](N)(C(=O)OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.41
FDPS P14324 5/20 0.39
GGPS1 O95749 2/20 0.36
S1PR4 O95977 4/20 0.35
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 4/20 0.35
S1PR2 O95136 3/20 0.35
PTPN1 P18031 1/20 0.34
S1PR5 Q9H228 3/20 0.34
LPAR6 P43657 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR4 Q99677 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL5682842 0.78 SMPD1 (0.40) SMPD1FDPSGGPS1S1PR4S1PR1
SCHEMBL1764394 0.76 LMNA (0.34)
SCHEMBL16937307 0.76 LMNA (0.34)
SCHEMBL14639283 0.75 LMNA (0.32)
SCHEMBL768930 0.75 LMNA (0.32)
SCHEMBL14639329 0.75 LMNA (0.32)
Triphosphate SCHEMBL30619686 0.69 SMPD1 (0.42) SMPD1FDPSGGPS1PTPN1LPAR1
SCHEMBL13730862 0.68 CYP2D6 (0.41) SMPD1FDPSS1PR4S1PR1S1PR3
SCHEMBL8520599 0.68 CYP2D6 (0.34) FDPSGGPS1
SCHEMBL17766210 0.68 FDPS (0.35) SMPD1FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466838-B1 NOVEL LIPID A DERIVATIVES AND USES THEREFOR WISCONSIN ALUMNI RES FOUND (US) 1998-04-01 EP disclosed
EP-0466838-A4 WISCONSIN ALUMNI RES FOUND (US) 1995-02-22 EP disclosed
US-5158939-A Administering a nontoxic lipopolysaccharide from rhodopseudomonas which negate the inhibitory effects of thymus derived T suppressor cells WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1992-10-27 US disclosed
EP-0466838-A1 NOVEL LIPID A DERIVATIVES AND USES THEREFOR WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1992-01-22 EP disclosed
US-5041427-A Protection Against Gramnegative Endotoxin WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1991-08-20 US disclosed
WO-1991001134-A1 NOVEL LIPID A DERIVATIVES AND USES THEREFOR WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1991-02-07 WO disclosed