SCHEMBL9302016

SCHEMBL9302016

O=P(O)(O)C(N1CCC(N2CCCCC2)CC1)P(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.64
L3MBTL3 Q96JM7 11/20 0.41
L3MBTL1 Q9Y468 10/20 0.41
MBTD1 Q05BQ5 5/20 0.41
TP53BP1 Q12888 2/20 0.39
L3MBTL4 Q8NA19 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9301764 0.82 FDPS (0.44) FDPSL3MBTL3L3MBTL1MBTD1MEN1
SCHEMBL2472093 0.80 FDPS (1.00) FDPSMEN1ALDH1A1KMT2A
N-(Hexamethyleneimino)Methylenebisphosphonic Acid SCHEMBL12309768 0.80 FDPS (1.00) FDPSMEN1ALDH1A1KMT2A
SCHEMBL14403096 0.74 L3MBTL3 (0.47) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL9301484 0.74 FDPS (0.58) FDPS
SCHEMBL2203676 0.73 FDPS (0.85) FDPS
SCHEMBL762417 0.72 FDPS (0.56) FDPSMEN1ALDH1A1KMT2A
SCHEMBL203348 0.72 FDPS (0.75) FDPSKDM4E
SCHEMBL898693 0.72 FDPS (0.75) FDPSKDM4E
SCHEMBL3080928 0.72 FDPS (0.75) FDPSKDM4E

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-5350743-A Treatment of osteoporosis KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-09-27 US disclosed
EP-0498424-A1 Bisphosphonic acid derivatives and bone resorption inhibitors containing them Kaken Pharmaceutical Co., Ltd. (JP) 1992-08-12 EP disclosed