SCHEMBL8003353

SCHEMBL8003353

CCOP(=O)(OCC)C(NCc1cccnc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALOX15 P16050 1/20 0.39
MC4R P32245 1/20 0.39
CCR6 P51684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 1/20 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
SCHEMBL8011719 0.88 HMGCR (0.51) HMGCRKMT2AMEN1NPSR1LMNA
SCHEMBL7119145 0.84 HMGCR (0.46) HMGCRKMT2AMEN1NPSR1LMNA
SCHEMBL8015604 0.81 GAA (0.48) HMGCRKMT2AMEN1NPSR1ALDH1A1
SCHEMBL8143057 0.80 KMT2A (0.45) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL7124088 0.79 HMGCR (0.47) HMGCRKMT2AMEN1NPSR1LMNA
SCHEMBL8766613 0.78 HMGCR (0.49) HMGCRKMT2AMEN1NPSR1MAPT
SCHEMBL8142160 0.77 LMNA (0.46) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL5367565 0.75 KMT2A (0.50) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL8014329 0.75 MEN1 (0.51) HMGCRKMT2AMEN1NPSR1LMNA
SCHEMBL8144918 0.75 NR1H4 (0.43) KMT2AMEN1NPSR1LMNAALDH1A1

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 5 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-6060464-A Compounds and pharmaceutical compositions containing them SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-09 US disclosed
EP-0835116-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1998-04-15 EP disclosed
WO-1997002037-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1997-01-23 WO disclosed