SCHEMBL8767341

SCHEMBL8767341

CCOc1cccc(N(CP(=O)(OCC)OCC)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.43
NR1I2 O75469 1/20 0.43
CETP P11597 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.34
RECQL P46063 2/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCB1 P08183 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
SCHEMBL8766583 0.88 HMGCR (0.43) HMGCRNR1I2LMNAMAPTALDH1A1
SCHEMBL8766713 0.87 HMGCR (0.44) HMGCRNR1I2LMNAALDH1A1KMT2A
SCHEMBL8766643 0.86 HMGCR (0.48) HMGCRNR1I2LMNAMAPTALDH1A1
SCHEMBL8766983 0.82 HMGCR (0.45) HMGCRNR1I2LMNAMAPTALDH1A1
SCHEMBL8766672 0.81 HMGCR (0.43) HMGCRNR1I2LMNAMAPTALDH1A1
SCHEMBL7120195 0.80 HMGCR (0.43) HMGCRNR1I2LMNAMAPTALDH1A1
SCHEMBL8609257 0.80 HMGCR (0.43) HMGCRNR1I2LMNAMAPTALDH1A1
SCHEMBL8766044 0.80 HMGCR (0.43) HMGCRNR1I2LMNAALDH1A1MAPK1
SCHEMBL7125857 0.79 HMGCR (0.41) HMGCRNR1I2LMNAMAPTKMT2A
SCHEMBL8766723 0.76 HMGCR (0.39) HMGCRNR1I2LMNAMAPTALDH1A1

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 1 patent. 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