SCHEMBL14833985

SCHEMBL14833985

CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CCC=CO

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
PDE6D O43924 1/20 0.54
NR1I2 O75469 1/20 0.54
PDE4D Q08499 1/20 0.54
ABCC3 O15438 1/20 0.53
ABCC4 O15439 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
AKT1 P31749 2/20 0.51
GCGR P47871 3/20 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
SCHEMBL3204588 0.91 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3204581 0.91 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2306166 0.87 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL19792091 0.86 HMGCR (0.54) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2690 0.86 HMGCR (0.58) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL29482554 0.86 HMGCR (0.58) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL14834043 0.84 HMGCR (0.62) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL12341114 0.84 HMGCR (0.54) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL12341117 0.84 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4914199 0.83 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576518-A1 IMPROVED PROCESS FOR THE PREPARATION OF PROPENAL INTERMEDIATE AND DERIVATIVES THEREOF Pharmathen S.A. (GR) 2013-04-10 EP claimed
WO-2011154015-A1 IMPROVED PROCESS FOR THE PREPARATION OF PROPENAL INTERMEDIATE AND DERIVATIVES THEREOF PHARMATHEN S.A. (GR) 2011-12-15 WO claimed
EP-2576518-A1 IMPROVED PROCESS FOR THE PREPARATION OF PROPENAL INTERMEDIATE AND DERIVATIVES THEREOF Pharmathen S.A. (GR) 2013-04-10 EP disclosed
WO-2011154015-A1 IMPROVED PROCESS FOR THE PREPARATION OF PROPENAL INTERMEDIATE AND DERIVATIVES THEREOF PHARMATHEN S.A. (GR) 2011-12-15 WO disclosed