SCHEMBL7933980

SCHEMBL7933980

CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/C1CC(CC(=O)OC(C)(C)C)OC(C)(C)O1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 11/20 0.55
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ PDE6D O43924 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ ABCC3 O15438 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ AKT1 P31749 1/20 0.40

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
SCHEMBL1978779 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL30799327 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2050594 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2050597 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1978780 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL8239672 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9611179 0.94 HMGCR (0.52) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3259413 0.92 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL13100382 0.92 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL13637135 0.92 HMGCR (0.46) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521260-A Synthetic method of rosuvastatin calcium tert-butyl ester 江苏阿尔法药业股份有限公司 2022-12-27 — — CN claimed
CN-115819408-A Method for highly selectively synthesizing rosuvastatin key intermediate 宿迁阿尔法科技有限公司 2023-03-21 — — CN disclosed
CN-115521260-A Synthetic method of rosuvastatin calcium tert-butyl ester 江苏阿尔法药业股份有限公司 2022-12-27 — — CN disclosed
CN-113956243-A Rosuvastatin intermediate and preparation method thereof 宣城美诺华药业有限公司 2022-01-21 — — CN disclosed
CN-113929667-A Rosuvastatin intermediate, preparation method of intermediate and preparation method of rosuvastatin ester 宣城美诺华药业有限公司 2022-01-14 — — CN disclosed
CN-112679490-A Chiral side chain of rosuvastatin calcium containing sulfone structure and preparation method and application thereof 安徽美诺华药物化学有限公司 2021-04-20 — — CN disclosed
CN-107298675-B Preparation method of rosuvastatin calcium intermediate 浙江美诺华药物化学有限公司 2020-08-11 — — CN disclosed
WO-2010029561-A1 A PROCESS FOR PREPARATION OF ROSUVASTATIN ACETONIDE CALCIUM BIOCON LIMITED (IN) 2010-03-18 — — WO disclosed
WO-2010023678-A1 A PROCESS FOR PREPARATION OF ROSUVASTATIN INTERMEDIATE BIOCON LIMITED (IN) 2010-03-04 — — WO disclosed
Send feedback