SCHEMBL5287899

SCHEMBL5287899

CC(C)NC(C)C.CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/C(O)CC(=O)O

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.80
ALDH1A1 P00352 1/20 0.80
CYP3A4 P08684 1/20 0.80
PDE6D O43924 1/20 0.80
NR1I2 O75469 1/20 0.80
PDE4D Q08499 1/20 0.80
HDAC1 Q13547 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
ABCC3 O15438 1/20 0.70
ABCC4 O15439 1/20 0.70

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
SCHEMBL3201954 0.96 HMGCR (0.86) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3201932 0.96 HMGCR (0.86) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10297391 0.96 HMGCR (0.86) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3198400 0.96 HMGCR (0.86) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3210158 0.96 HMGCR (0.86) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL5316885 0.96 HMGCR (0.86) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Rosuvastatin SCHEMBL247384 0.93 HMGCR (0.92) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4159337 0.90 HMGCR (0.78) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4170869 0.90 HMGCR (0.78) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4209321 0.90 HMGCR (0.78) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863773-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN UNICHEM LABORATORIES LIMITED (IN) 2007-12-12 EP disclosed
WO-2006100689-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN UNICHEM LABORATORIES LIMITED (IN) 2006-09-28 WO disclosed