SCHEMBL9300465

SCHEMBL9300465

CC1(C)CCCN(C(P(=O)(O)O)P(=O)(O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.53
LIPE Q05469 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 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
SCHEMBL9300869 0.83 FDPS (0.38) FDPS
SCHEMBL9302201 0.78 FDPS (0.59) FDPSCYP2C9CYP2C19MEN1ALDH1A1
SCHEMBL9302739 0.76 FDPS (0.56) FDPS
SCHEMBL9300273 0.74 FDPS (0.64) FDPSCYP2C9CYP2C19MEN1ALDH1A1
SCHEMBL2203676 0.73 FDPS (0.85) FDPS
SCHEMBL4473518 0.71 LIPE (0.33) LIPECYP2D6
SCHEMBL9303011 0.71 FDPS (0.54) FDPS
SCHEMBL2472093 0.71 FDPS (1.00) FDPSMEN1ALDH1A1KMT2ASMN1; SMN2
N-(Hexamethyleneimino)Methylenebisphosphonic Acid SCHEMBL12309768 0.71 FDPS (1.00) FDPSMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9301193 0.70 FDPS (0.53) FDPSCYP2C9CYP2C19MEN1ALDH1A1

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