SCHEMBL9713462

SCHEMBL9713462

CCCCCCCCCCCCCCCCN([C@@H](CO)C(=O)O)P(=O)(O)O.CCCCCCCCCCCCCCCCP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.50
LPAR2 Q9HBW0 1/20 0.50
S1PR2 O95136 11/20 0.49
S1PR1 P21453 11/20 0.49
S1PR3 Q99500 11/20 0.49
S1PR5 Q9H228 2/20 0.49
GGPS1 O95749 3/20 0.40
S1PR4 O95977 9/20 0.40

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
SCHEMBL7109928 0.93 GGPS1 (0.41) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL9504341 0.93 GGPS1 (0.41) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL9500708 0.93 GGPS1 (0.41) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL9504351 0.93 GGPS1 (0.41) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL7109087 0.93 GGPS1 (0.41) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL9500709 0.93 GGPS1 (0.41) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL9388449 0.93 GGPS1 (0.41) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL9388470 0.91 GGPS1 (0.39) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL9388467 0.91 GGPS1 (0.39) LPAR3LPAR2S1PR2S1PR1S1PR3
SCHEMBL7551976 0.85 EPHX2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155099-A ALKYLPHOSPHONOSERINES AND PHARMACEUTICAL COMPOSITIONS USEFUL AS CYTOSTATIC AGENTS HAFSLUND NYCOMED PHARMA AKTIENGESELLSCHAFT (AT) 1992-10-13 US disclosed
EP-0413700-A1 NEW ALKYLPHOSPHONO- AND PHOSPHOSERINES, METHOD FOR PREPARING THEM, AND PHARMACEUTICAL SUBSTANCES CONTAINING THEM Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1991-02-27 EP disclosed
WO-1989010370-A1 NEW ALKYLPHOSPHONO- AND PHOSPHOSERINES, METHOD FOR PREPARING THEM, AND PHARMACEUTICAL SUBSTANCES CONTAINING THEM CL-PHARMA AKTIENGESELLSCHAFT (AT) 1989-11-02 WO disclosed