SCHEMBL10409100

SCHEMBL10409100

CCCCNP(=O)(O)OP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
LPAR3 Q9UBY5 5/20 0.41
LPAR2 Q9HBW0 3/20 0.41
LPAR1 Q92633 2/20 0.41
MMP1 P03956 1/20 0.40
S1PR2 O95136 5/20 0.37
S1PR4 O95977 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
SMPD1 P17405 4/20 0.37
S1PR5 Q9H228 1/20 0.37
FDPS P14324 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 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
Pyrophosphoric Acid SCHEMBL2694912 0.78 S1PR2 (0.53) MMP2LPAR3LPAR2LPAR1MMP1
Pyrophosphoric Acid SCHEMBL2694911 0.78 S1PR2 (0.53) MMP2LPAR3LPAR2LPAR1MMP1
SCHEMBL18736413 0.78 FDPS (0.43) MMP2LPAR3LPAR2LPAR1MMP1
SCHEMBL25991329 0.78 CYP3A4 (0.50) MMP2LPAR3LPAR2LPAR1MMP1
SCHEMBL30542878 0.77 MMP2 (0.39) MMP2LPAR3LPAR2LPAR1MMP1
SCHEMBL3361662 0.75
SCHEMBL10885238 0.75 MMP2 (0.40) MMP2LPAR3LPAR2LPAR1MMP1
Pyrophosphoric Acid SCHEMBL30340239 0.74 FDPS (0.59) LPAR3LPAR2LPAR1SMPD1FDPS
Pyrophosphoric Acid SCHEMBL27668809 0.74 FDPS (0.59) LPAR3LPAR2LPAR1SMPD1FDPS
Pyrophosphoric Acid SCHEMBL8761218 0.74 FDPS (0.67) LPAR3LPAR2LPAR1SMPD1FDPS

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
US-4956163-A REACTING A PYROPHOSPHATE ION AND A SULFAMIDE MONSANTO COMPANY (US) 1990-09-11 US disclosed
US-4946662-A REACTING SULFAMIDES AND PHOSPHATE IONS IN PH BETWEEN 8 AND 10 MONSANTO COMPANY (US) 1990-08-07 US disclosed