SCHEMBL7046887

SCHEMBL7046887

CCCCCCC(=O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
LMNA P02545 3/20 0.47
PAM P19021 2/20 0.46
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 3/20 0.42
DNM1 Q05193 1/20 0.42
NAAA Q02083 1/20 0.42
PPARG P37231 4/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 4/20 0.42
GPR84 Q9NQS5 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
TLR2 O60603 1/20 0.42

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
SCHEMBL31285293 1.00 DGKA (0.50) DGKALMNAPAMMAPTMAPK1
SCHEMBL4936173 1.00 DGKA (0.50) DGKALMNAPAMMAPTMAPK1
SCHEMBL27321456 0.92 DGKA (0.39) DGKALMNAPAMMAPTMAPK1
Choline SCHEMBL28686393 0.87 DGKA (0.39) DGKALMNAMAPTMAPK1TSHR
SCHEMBL1595383 0.85 TSHR (0.44) LMNATSHRALDH1A1PPARGPPARD
SCHEMBL6309457 0.84 ALDH1A1 (0.46) LMNACES2CES1TSHRALDH1A1
SCHEMBL8865215 0.82 DUT (0.35) DGKALMNAALDH1A1DNM1
SCHEMBL9842180 0.82 DGKA (0.47) DGKALMNAPAMMAPTMAPK1
SCHEMBL6545278 0.82 TSHR (0.38) TSHR
SCHEMBL4863534 0.81 TSHR (0.31) LMNATSHRALDH1A1

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-1294706-A1 A PROCESS FOR LACTONIZATION TO PRODUCE SIMVASTATIN Aurobindo Pharma Limited (IN) 2003-03-26 EP disclosed
WO-2002094804-A1 A PROCESS FOR LACTONIZATION TO PRODUCE SIMVASTATIN AUROBINDO PHARMA LIMITED (IN) 2002-11-28 WO disclosed