SCHEMBL8766643

SCHEMBL8766643

CCOP(=O)(CN(c1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.48
NR1I2 O75469 2/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
F2R P25116 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
TNFRSF1A P19438 1/20 0.35
PTGS2 P35354 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL8766983 0.90 HMGCR (0.45) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL8766713 0.88 HMGCR (0.44) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL8766044 0.88 HMGCR (0.43) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL8609257 0.88 HMGCR (0.43) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL8766672 0.87 HMGCR (0.43) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL8766583 0.87 HMGCR (0.43) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL7120195 0.86 HMGCR (0.43) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL8767341 0.86 HMGCR (0.43) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL7125857 0.85 HMGCR (0.41) HMGCRNR1I2KMT2AMEN1GAA
SCHEMBL8766474 0.83 HMGCR (0.42) HMGCRNR1I2LMNARECQLCYP3A4

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
EP-0559079-B1 Substituted aminophosphonate derivatives, process for their preparation and pharmaceutical compositions containing them SYMPHAR SA (CH) 1997-08-13 EP claimed
EP-0559079-A1 Substituted aminophosphonate derivatives, process for their preparation and pharmaceutical compositions containing them SYMPHAR S.A. (CH) 1993-09-08 EP claimed