SCHEMBL5741333

SCHEMBL5741333

COC(=O)C[C@@H](CC(=O)C=Cc1c(Br)nc(C(=O)NCc2ccccc2)n1C(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RAB9A P51151 1/20 0.30
GLS O94925 1/20 0.30

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
SCHEMBL5741330 1.00 HMGCR (0.35) HMGCRSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL5743772 0.88 HMGCR (0.37) HMGCRSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL5741396 0.88 HMGCR (0.37) HMGCRSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL5743770 0.88 HMGCR (0.37) HMGCRSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL5741400 0.88 HMGCR (0.37) HMGCRSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL5743144 0.86 ALDH1A1 (0.38) HMGCRSMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL5743150 0.86 ALDH1A1 (0.38) HMGCRSMN1; SMN2ALDH1A1L3MBTL1MAPT
SCHEMBL5732070 0.78 HMGCR (0.45) HMGCR
SCHEMBL5732063 0.78 HMGCR (0.45) HMGCR
SCHEMBL5740858 0.77 HMGCR (0.44) HMGCRSMN1; SMN2ALDH1A1LMNACYP1A2

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-1727541-A1 IMIDAZOLE-BASED HMG-COA REDUCTASE INHIBITORS Warner-Lambert Company LLC (US) 2006-12-06 EP disclosed
WO-2005079790-A1 IMIDAZOLE-BASED HMG-COA REDUCTASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-09-01 WO disclosed