SCHEMBL9302063

SCHEMBL9302063

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.40
LPAR1 Q92633 10/20 0.33
LPAR2 Q9HBW0 5/20 0.33
S1PR4 O95977 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR2 O95136 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSPO P30536 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LPAR5 Q9H1C0 3/20 0.32
ENPP2 Q13822 2/20 0.31
LPAR4 Q99677 2/20 0.31
CES2 O00748 1/20 0.31
LPAR6 P43657 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
SGPL1 O95470 2/20 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
SCHEMBL9301175 0.91 FDPS (0.33) LPAR3
SCHEMBL9300482 0.88 FDPS (0.40) LPAR3LPAR1LPAR2S1PR4S1PR1
SCHEMBL9303056 0.86 FDPS (0.34)
SCHEMBL9301453 0.83 FDPS (0.36)
SCHEMBL9301474 0.79 FDPS (0.43)
SCHEMBL9301258 0.77 FDPS (0.38) ALDH1A1
SCHEMBL5075884 0.77 FDPS (0.45)
SCHEMBL6670360 0.77 FDPS (0.45)
SCHEMBL9301070 0.76 FDPS (0.37)
SCHEMBL6668133 0.71 CYP3A4 (0.42) LPAR3LPAR1LPAR2LPAR5

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