SCHEMBL9302434

SCHEMBL9302434

CCC1(O)CCN(C(P(=O)(O)O)P(=O)(O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.48
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR4 O95977 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
SCHEMBL9301973 0.80 OPRM1 (0.53) FDPSOPRM1OPRD1OPRK1OPRL1
SCHEMBL9303011 0.79 FDPS (0.54) FDPS
SCHEMBL9302085 0.77 FDPS (0.44) FDPS
SCHEMBL9302739 0.76 FDPS (0.56) FDPS
SCHEMBL9302962 0.76 FDPS (0.50) FDPSOPRM1OPRD1OPRK1OPRL1
SCHEMBL9300682 0.74 FDPS (0.48) FDPSOPRM1OPRD1OPRK1OPRL1
SCHEMBL7849180 0.74 CHRNA7 (0.39) OPRM1OPRD1OPRK1OPRL1
SCHEMBL9301189 0.74 FDPS (0.58) FDPS
SCHEMBL9301634 0.73 FDPS (0.52) FDPS
SCHEMBL9300740 0.73 FDPS (0.52) FDPS

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