SCHEMBL3162910

SCHEMBL3162910

CCOC(=O)C[C@H]1C[C@@H](C=Cc2c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc2C(C)C)OC(C)(C)O1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 10/20 0.53
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ PDE6D O43924 1/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ ABCC3 O15438 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ AKT1 P31749 2/20 0.41

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
SCHEMBL12045143 0.93 HMGCR (0.51) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3259413 0.93 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL13100382 0.93 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL28531434 0.92 HMGCR (0.57) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL13428668 0.92 HMGCR (0.54) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL15371657 0.92 HMGCR (0.52) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2368051 0.91 HMGCR (0.53) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2368048 0.91 HMGCR (0.53) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL8239672 0.91 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL7933980 0.91 HMGCR (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902036-B1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN AND INTERMEDIATES RICHTER GEDEON NYRT (HU) 2010-03-24 — — EP disclosed
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