SCHEMBL8991752

SCHEMBL8991752

CCCN(C)P(=O)(O)C#N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.39
ACHE P22303 1/20 0.36
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
GGPS1 O95749 4/20 0.32
AGTR1 P30556 1/20 0.31
OPRM1 P35372 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL434892 0.71
SCHEMBL11375572 0.70 FDPS (0.43) FDPSS1PR2S1PR1S1PR3S1PR5
Butane SCHEMBL6817226 0.68 FDPS (0.38) FDPSACHEMMP1MMP2MMP3
Phosphoric Acid SCHEMBL2683526 0.68 FDPS (0.50) FDPSS1PR2S1PR1S1PR3S1PR5
Phosphoric Acid SCHEMBL5874368 0.68 FDPS (0.50) FDPSS1PR2S1PR1S1PR3S1PR5
Butane SCHEMBL1861894 0.66 CA2 (0.39) FDPSACHEMMP1MMP2MMP3
Phosphoric Acid SCHEMBL28237161 0.66 FDPS (0.48) FDPSS1PR2S1PR1S1PR3S1PR5
Phosphoric Acid SCHEMBL28290084 0.66 FDPS (0.48) FDPSS1PR2S1PR1S1PR3S1PR5
Phosphoric Acid SCHEMBL28529141 0.64 FDPS (0.46) FDPSS1PR2S1PR1S1PR3S1PR5
SCHEMBL29071712 0.64 FDPS (0.46) FDPSS1PR2S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5493730-A Articles of protective clothing adapted for deflecting chemical permeation and methods therefor MARTIN MARIETTA ENERGY SYSTEMS, INC. (US) 1996-02-27 US disclosed
EP-0672169-A1 BIOSENSOR FOR DETECTION OF AND DISTINGUISHING BETWEEN CHOLINESTERASES INHIBITORS ORITEST S. S R.O. (CZ) 1995-09-20 EP disclosed
US-5376554-A Detecting permeation of hazardous material through protective clothing MARTIN MARIETTA ENERGY SYSTEMS, INC. (US) 1994-12-27 US disclosed
WO-1994005808-A1 BIOSENSOR FOR DETECTION OF AND DISTINGUISHING BETWEEN CHOLINESTERASES INHIBITORS ORITEST S. S R.O. (CZ) 1994-03-17 WO disclosed