SCHEMBL9657404

SCHEMBL9657404

Cc1cc(CC(O)(P(=O)(O)O)P(=O)(O)O)on1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 13/20 0.43
VHL P40337 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
BTN3A1 O00481 1/20 0.37
PDE3A Q14432 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37

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
SCHEMBL19791266 0.77 VHL (0.44) VHLMEN1KMT2APOLBALDH1A1
SCHEMBL11346905 0.75 VHL (0.46) VHLMEN1KMT2APOLBALDH1A1
SCHEMBL9658558 0.74 NOTUM (0.56) FDPSMEN1KMT2APOLB
SCHEMBL803419 0.72 MEN1 (0.46) VHLMEN1KMT2APOLBALDH1A1
SCHEMBL18994354 0.69 MEN1 (0.43) VHLMEN1KMT2APOLBALDH1A1
SCHEMBL1698651 0.68 VHL (0.58) VHLMEN1KMT2APOLBALDH1A1
SCHEMBL2093204 0.68
SCHEMBL19399866 0.68
SCHEMBL2093209 0.68
SCHEMBL4204403 0.67 EPHX2 (0.57) VHLMEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258618-B1 DIPHOSPHONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THOSE COMPOUNDS Roche Diagnostics GmbH (DE) 1992-05-06 EP disclosed
US-4777163-A BONE DISORDERS, RHEUMATIC DISEASES BOEHRINGER MANNHEIM GMBH (DE) 1988-10-11 US disclosed
EP-0258618-A2 Diphosphonic acid derivatives, process for their preparation and medicines containing those compounds Roche Diagnostics GmbH (DE) 1988-03-09 EP disclosed