SCHEMBL9301941

SCHEMBL9301941

CCOP(=O)(O)C(N1CCC2(CC1)OCCO2)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 6/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
FDPS P14324 3/20 0.34
POLB P06746 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 2/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9302643 0.82 FDPS (0.38) TSHRFDPS
SCHEMBL22991310 0.82 KDM4E (0.38) KDM4EKMT2AALDH1A1L3MBTL1TSHR
SCHEMBL6670360 0.82 FDPS (0.45) TSHRFDPS
SCHEMBL5075884 0.82 FDPS (0.45) TSHRFDPS
SCHEMBL9302623 0.81 FDPS (0.37) TSHRFDPSSMN1; SMN2
SCHEMBL9302275 0.81 FDPS (0.37) TSHRFDPSSMN1; SMN2
SCHEMBL9300995 0.81 OPRM1 (0.38) FDPS
SCHEMBL9300897 0.80 FDPS (0.36) TSHRFDPS
SCHEMBL9302299 0.79 OPRM1 (0.36) FDPS
SCHEMBL9301452 0.77 FDPS (0.33) 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