SCHEMBL19212002

SCHEMBL19212002

O=P(O)(O)C1CCC(P(=O)(O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
S1PR3 Q99500 2/20 0.42
GRM4 Q14833 2/20 0.37
S1PR5 Q9H228 1/20 0.36
GAA P10253 1/20 0.32
ENO1 P06733 2/20 0.31
INPP5A Q14642 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 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
SCHEMBL19212088 0.86 GRM4 (0.39) S1PR4S1PR1S1PR3GRM4S1PR5
SCHEMBL4954695 0.86
SCHEMBL15031187 0.81 S1PR4 (0.41) S1PR4S1PR1S1PR3GRM4S1PR5
SCHEMBL20843659 0.81 S1PR4 (0.37) S1PR4S1PR1S1PR3GRM4S1PR5
SCHEMBL4255645 0.81 S1PR4 (0.37) S1PR4S1PR1S1PR3GRM4S1PR5
SCHEMBL6422222 0.77 S1PR4 (0.50) S1PR4S1PR1S1PR3S1PR5MMP2
SCHEMBL11662090 0.77 S1PR4 (0.35) S1PR4S1PR1S1PR3S1PR5
Phosphonic Acid SCHEMBL9538179 0.75 S1PR4 (0.34) S1PR4S1PR1S1PR3
SCHEMBL12958903 0.75 S1PR4 (0.38) S1PR4S1PR1S1PR3S1PR5MMP2
SCHEMBL22869419 0.75 S1PR4 (0.45) S1PR4S1PR1S1PR3S1PR5INPP5A

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-3413934-A1 IMPROVED TREATMENT OF IMPLANTS WITH PHOSPHONIC ACID COMPOUNDS Nano Bridging Molecules SA (CH) 2018-12-19 EP claimed
WO-2017137623-A1 IMPROVED TREATMENT OF IMPLANTS WITH PHOSPHONIC ACID COMPOUNDS NANO BRIDGING MOLECULES SA (CH) 2017-08-17 WO claimed