SCHEMBL9189971

SCHEMBL9189971

CCC(CC)C(=O)OCOP(=O)(OCOC(=O)C(CC)CC)C(O)(CCCNC)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 12/20 0.36
GGPS1 O95749 7/20 0.36
PDE3A Q14432 2/20 0.31
AGTR1 P30556 1/20 0.31
OPRM1 P35372 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
SCHEMBL2459632 0.91 CA12 (0.30)
SCHEMBL2460476 0.85 FDPS (0.49) FDPSGGPS1PDE3A
SCHEMBL2459061 0.82 BTN3A1 (0.40) FDPSGGPS1PDE3A
SCHEMBL2453742 0.76 FDPS (0.41) FDPSGGPS1PDE3A
SCHEMBL2453750 0.73 BTN3A1 (0.40)
SCHEMBL4800069 0.72 FDPS (0.57) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL14644616 0.66 FDPS (0.62) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL20458106 0.66 FDPS (0.62) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL12967961 0.66 FDPS (0.62) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL2456971 0.66 FDPS (0.51) FDPSGGPS1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416689-B1 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO INC (US) 1995-11-29 EP claimed