SCHEMBL934293

SCHEMBL934293

CC(C)c1nc(NCS(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/C(O)(O)CCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
PDE6D O43924 1/20 0.44
NR1I2 O75469 1/20 0.44
PDE4D Q08499 1/20 0.44
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 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
SCHEMBL1078205 1.00 HMGCR (0.44) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1738989 0.92 ABCC3 (0.46) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Zinc Ion SCHEMBL1078270 0.92 ABCC3 (0.45) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1740055 0.82 HMGCR (0.41) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Tert-Butylamine SCHEMBL1739620 0.80 HMGCR (0.40) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1739610 0.79 ABCC3 (0.43) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2684321 0.79 ABCC3 (0.42) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Zinc Ion SCHEMBL1741829 0.79 ABCC3 (0.42) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL15004853 0.78 HMGCR (0.70) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL6427204 0.78 HMGCR (0.70) 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
WO-2010128346-A3 ROSUVASTATIN MANGANSE, COPPER, IRON AND ZINC SALTS WITH HIGH PHOTOCHEMICAL STABILITY EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MUKODO RESZVENYTÁRSASÁG (HU) 2011-01-13 WO disclosed
WO-2010128346-A2 ROSUVASTATIN SALTS AND METHOD FOR PREPARATION THEREOF EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MUKODO RESZVENYTÁRSASÁG (HU) 2010-11-11 WO disclosed