SCHEMBL7125857

SCHEMBL7125857

CCOP(=O)(CN(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccn1)OCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.41
NR1I2 O75469 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.38
IDH1 O75874 6/20 0.36
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8766643 0.85 HMGCR (0.48) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL7126888 0.84 MAPT (0.40) MEN1KMT2AGAALMNAPOLB
SCHEMBL8609257 0.83 HMGCR (0.43) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL7120195 0.81 HMGCR (0.43) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL7125849 0.81 MEN1 (0.45) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL7117955 0.81 GAA (0.43) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL8766983 0.80 HMGCR (0.45) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL8766583 0.80 HMGCR (0.43) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL8767341 0.79 HMGCR (0.43) HMGCRNR1I2MEN1KMT2AGAA
SCHEMBL8766713 0.79 HMGCR (0.44) HMGCRNR1I2MEN1KMT2AGAA

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
EP-0835116-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1998-04-15 EP claimed
WO-1997002037-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1997-01-23 WO claimed
US-6660724-B1 Aminophosphonates alpha substituted by phenol; lipoprotein lowering activity ILEX PRODUCTS, INC. 2003-12-09 US disclosed
US-6060464-A Compounds and pharmaceutical compositions containing them SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-09 US disclosed