SCHEMBL7860079

SCHEMBL7860079

O=C(O)C(O)(CC1CCCNC1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.42
CPB2 Q96IY4 2/20 0.42
KMT2A Q03164 2/20 0.40
SLC6A1 P30531 4/20 0.39
SLC6A11 P48066 3/20 0.39
SLC6A13 Q9NSD5 3/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA5 P31644 2/20 0.38
GABRB2 P47870 2/20 0.38
SLC6A12 P48065 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRA4 P48169 1/20 0.38
EPHX1 P07099 1/20 0.36
FDPS P14324 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35

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
SCHEMBL8701605 0.82 FDPS (0.51) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL8706215 0.81 FDPS (0.50) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL9085173 0.76 CPN1 (0.39) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL9084192 0.76 CPN1 (0.39) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL8706218 0.76 FDPS (0.42) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL8712585 0.75 CPN1 (0.35) CPN1CPB2KMT2ASLC6A1SLC6A11
SCHEMBL9806687 0.74 FDPS (0.49) SLC6A1SLC6A11SLC6A13LMNAGABRA5
SCHEMBL9084709 0.73 KMT2A (0.42) CPN1CPB2KMT2ASLC6A1SLC6A11
Iodide SCHEMBL9163644 0.72 FDPS (0.39) CPN1CPB2KMT2AEPHX1FDPS
SCHEMBL7860170 0.72 GFER (0.39) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788362-B1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMA (US) 2001-07-25 EP disclosed
US-5760021-A TREATING OR PREVENTING METABOLIC BONE DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1998-06-02 US disclosed
EP-0788362-A1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1997-08-13 EP disclosed
CN-1089613-A Phosphonocarboxylate compounds and pharmaceutical compositions containing the same PROCTER & GAMBLE PHARMA (US) 1994-07-20 CN disclosed
WO-1993024131-A1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed