SCHEMBL9000123

SCHEMBL9000123

O=P(O)(O)CCCCC(O)c1nc[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.34
PNP P00491 1/20 0.34
S1PR1 P21453 8/20 0.33
S1PR2 O95136 7/20 0.33
S1PR3 Q99500 7/20 0.33
LPAR2 Q9HBW0 2/20 0.33
TYMS P04818 1/20 0.33
ENPP1 P22413 1/20 0.33
S1PR4 O95977 5/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
ENPEP Q07075 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
SCHEMBL8387758 0.92 ENPEP (0.35) HPRT1S1PR1ENPEP
SCHEMBL8388050 0.81 ENPEP (0.38) HPRT1S1PR1S1PR2S1PR3S1PR4
SCHEMBL8385641 0.78 ENPEP (0.31) HPRT1ENPEP
SCHEMBL8385622 0.78 ENPEP (0.31) HPRT1PNPENPEP
SCHEMBL8390946 0.78 PGK1 (0.33) HPRT1ENPEP
SCHEMBL8388023 0.78 ENPEP (0.31) HPRT1ENPEP
SCHEMBL8390494 0.78 ENPEP (0.34) HPRT1ENPEP
SCHEMBL8386189 0.75 ENPEP (0.33) S1PR1S1PR2S1PR3S1PR4ENPEP
SCHEMBL8389806 0.75 S1PR1 (0.31) HPRT1S1PR1S1PR2S1PR3S1PR4
SCHEMBL8388065 0.75 HPRT1 (0.34) HPRT1

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
EP-0730408-A1 TRIAZOLE PHOSPHONATE PESTICIDES AgrEvo UK Limited (GB) 1996-09-11 EP disclosed
WO-1995014385-A1 TRIAZOLE PHOSPHONATE PESTICIDES AGREVO UK LIMITED (GB) 1995-06-01 WO disclosed