SCHEMBL7200152

SCHEMBL7200152

C=CCC(N)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.44
SMPD1 P17405 2/20 0.39
PDE3A Q14432 2/20 0.36
LMNA P02545 1/20 0.36
ADRB3 P13945 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.31
GRM4 Q14833 1/20 0.30
GABRR1 P24046 1/20 0.30

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
SCHEMBL31405403 0.78 FDPS (0.35) FDPSPDE3ALMNAADRB3PDE4D
Phosphoric Acid SCHEMBL3173755 0.76 FDPS (0.32) FDPS
SCHEMBL19212018 0.74 LPAR2 (0.31) ALDH1A1
Phosphoric Acid SCHEMBL27779615 0.73 FDPS (0.40) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL11498890 0.72 FDPS (0.42) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9287365 0.72 FDPS (0.38) FDPSSMPD1PDE3ALMNAADRB3
Phosphoric Acid SCHEMBL27801081 0.70 FDPS (0.44) FDPSSMPD1PDE3ALMNAADRB3
SCHEMBL6525269 0.70 LMNA (0.38) FDPSLMNAGRM4
SCHEMBL7071128 0.70 FDPS (0.34) FDPSSMPD1
SCHEMBL4819596 0.70 LMNA (0.38) FDPSLMNAGRM4

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-6597947-B1 Iontophoresis device HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2003-07-22 US disclosed
EP-1177813-A1 IONTOPHORESIS DEVICE HISAMITSU PHARMACEUTICAL CO. INC. (JP) 2002-02-06 EP disclosed