SCHEMBL9388449

SCHEMBL9388449

CCCCCCCCCCCCN([C@@H](CO)C(=O)O)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 3/20 0.41
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FDPS P14324 3/20 0.37
FFAR1 O14842 1/20 0.37
LPAR3 Q9UBY5 3/20 0.36
LPAR2 Q9HBW0 1/20 0.36
MAPT P10636 1/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36

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
SCHEMBL9504351 1.00 GGPS1 (0.41) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9500708 1.00 GGPS1 (0.41) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL7109087 1.00 GGPS1 (0.41) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9504341 1.00 GGPS1 (0.41) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9500709 1.00 GGPS1 (0.41) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL7109928 1.00 GGPS1 (0.41) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9388470 0.98 GGPS1 (0.39) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9388467 0.98 GGPS1 (0.39) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9713462 0.93 LPAR3 (0.50) GGPS1S1PR2S1PR1S1PR3S1PR5
SCHEMBL7551976 0.92 EPHX2 (0.44) MAPTMMP2PPARD

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
WO-1994005676-A1 NOVEL PHOSPHO AND PHOSPHONO-(N-ACYL)-SERINES AND THEIR PRODUCTION Max-Delbrück-Centrum für Molekulare Medizin (DE) 1994-03-17 WO disclosed
EP-0338407-B1 NEW ALKYLPHOSPHONOSERINES, METHODS FOR PREPARING THEM, AND PHARMACEUTICAL SUBSTANCES CONTAINING THEM Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1993-06-09 EP disclosed
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
EP-0338407-A1 New alkylphosphonoserines, methods for preparing them, and pharmaceutical substances containing them Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1989-10-25 EP disclosed