SCHEMBL7793618

SCHEMBL7793618

CCOP(=O)(OCC)C(Nc1ccc(OCc2ccccc2)cn1)P(=O)(OCC)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.47
GCK P35557 2/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
AR P10275 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACB O00763 2/20 0.39

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
SCHEMBL7784532 0.83 FDPS (0.52) P4HTMGCKLMNAMEN1KMT2A
SCHEMBL7793579 0.82 KDM4E (0.43) EPHX2LMNAGAAKMT2AALDH1A1
SCHEMBL8519948 0.81 KDM4E (0.40) LMNAALDH1A1KDM4EMAPTRAB9A
SCHEMBL7793195 0.78 KDM4E (0.44) KDM4E
SCHEMBL6244782 0.76 PPARG (0.48)
SCHEMBL8410675 0.76 FFAR1 (0.46) LTA4HEPHX2HDAC1MEN1KMT2A
SCHEMBL9223520 0.76 KDM4E (0.44) L3MBTL1KDM4E
SCHEMBL7794298 0.76 FDPS (0.60) LMNAL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL6243007 0.76 MAPT (0.45) LMNAL3MBTL1GAAMEN1KMT2A
SCHEMBL5360999 0.75 FDPS (0.58) L3MBTL1GAAMEN1KMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0762883-B1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 2001-11-14 EP claimed
EP-0762883-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1997-03-19 EP claimed
WO-1995033466-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1995-12-14 WO claimed
US-5866556-A BONE DISORDERS LEIRAS OY (FI) 1999-02-02 US disclosed
EP-0762883-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1997-03-19 EP disclosed
WO-1995033466-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1995-12-14 WO disclosed