SCHEMBL9300482

SCHEMBL9300482

CCCCCC=C1CCN(C(P(=O)(O)O)P(=O)(O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.40
LPAR3 Q9UBY5 5/20 0.36
S1PR2 O95136 5/20 0.33
S1PR1 P21453 5/20 0.33
S1PR3 Q99500 5/20 0.33
S1PR4 O95977 4/20 0.33
LPAR2 Q9HBW0 2/20 0.33
LAP3 P28838 2/20 0.33
GGPS1 O95749 1/20 0.33
LPAR1 Q92633 1/20 0.33

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
SCHEMBL9301474 0.89 FDPS (0.43) FDPS
SCHEMBL9302063 0.88 LPAR3 (0.40) LPAR3S1PR2S1PR1S1PR3S1PR4
SCHEMBL9301175 0.78 FDPS (0.33) FDPSLPAR3
SCHEMBL9303056 0.71 FDPS (0.34) FDPS
SCHEMBL258172 0.71
SCHEMBL14915686 0.69 TSHR (0.44)
SCHEMBL21300 0.69 TSHR (0.44)
SCHEMBL15618384 0.69 TSHR (0.44)
SCHEMBL15618662 0.69 TSHR (0.44)
SCHEMBL1797486 0.69 TSHR (0.44)

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 4 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 claimed
EP-0498424-A1 Bisphosphonic acid derivatives and bone resorption inhibitors containing them Kaken Pharmaceutical Co., Ltd. (JP) 1992-08-12 EP claimed
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