Bemfivastatin

SCHEMBL29441844

CC(C)c1c(C(=O)Nc2ccc(CO)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.CC(C)c1c(C(=O)Nc2ccc(CO)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O.CC(C)c1c(C(=O)Nc2ccc(CO)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccc(CO)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1 GABBR2 GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HMGCR MMP1 MMP13 MMP7 MMP8 PTGS1 PTGS2 ileS pol rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Bemfivastatin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	HMGCR known ✓	P04035	4/20	0.81

▸	ABCB11	O95342	3/20	0.86

▸	SLCO1B1	Q9Y6L6	3/20	0.86

▸	ABCC3	O15438	2/20	0.86

▸	ABCC4	O15439	2/20	0.86

▸	SLCO1B3	Q9NPD5	2/20	0.86

▸	HDAC1	Q13547	2/20	0.81

▸	HDAC2	Q92769	2/20	0.81

▸	HDAC6	Q9UBN7	2/20	0.81

▸	NR1I2	O75469	1/20	0.81

▸	RHOC	P08134	1/20	0.81

▸	CYP3A4	P08684	1/20	0.81

▸	THRB	P10828	1/20	0.81

▸	NR1H4	Q96RI1	1/20	0.81

▸	ABCG2	Q9UNQ0	1/20	0.81

▸	PDE6D	O43924	3/20	0.65

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.

Compound	similarity	top predicted	shared targets
Bemfivastatin SCHEMBL1900386	0.96	HMGCR (0.89)	ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Bemfivastatin SCHEMBL18121688	0.96	HMGCR (0.89)	ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Bemfivastatin SCHEMBL4727724	0.96	HMGCR (0.89)	ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Bemfivastatin SCHEMBL517400	0.96	HMGCR (0.89)	ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL2186153	0.95	ABCB11 (0.95)	ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL1560714	0.95	ABCB11 (0.95)	ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
SCHEMBL6761286	0.93	ABCB11 (0.98)	ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL14645196	0.93	ABCB11 (0.97)	ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL6064039	0.93	ABCB11 (1.00)	ABCB11SLCO1B1ABCC3ABCC4SLCO1B3
Atorvastatin SCHEMBL5072672	0.93	ABCB11 (1.00)	ABCB11SLCO1B1ABCC3ABCC4SLCO1B3

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-114096523-A	Process for preparing (3R,5R) -7- (2- (4-fluorophenyl) -5-isopropyl-3-phenyl-4- ((4-hydroxymethylphenylamino) carbonyl) -pyrrol-1-yl) -3, 5-dihydroxyheptanoic acid hemicalcium salt and process for preparing intermediates used therein	大元制药株式会社	2022-02-25	—	—	CN	claimed
CN-114096523-A	Process for preparing (3R,5R) -7- (2- (4-fluorophenyl) -5-isopropyl-3-phenyl-4- ((4-hydroxymethylphenylamino) carbonyl) -pyrrol-1-yl) -3, 5-dihydroxyheptanoic acid hemicalcium salt and process for preparing intermediates used therein	大元制药株式会社	2022-02-25	—	—	CN	disclosed
CN-114096523-A	Process for preparing (3R,5R) -7- (2- (4-fluorophenyl) -5-isopropyl-3-phenyl-4- ((4-hydroxymethylphenylamino) carbonyl) -pyrrol-1-yl) -3, 5-dihydroxyheptanoic acid hemicalcium salt and process for preparing intermediates used therein	大元制药株式会社	2022-02-25	—	—	CN	disclosed
CN-114096523-A	Process for preparing (3R,5R) -7- (2- (4-fluorophenyl) -5-isopropyl-3-phenyl-4- ((4-hydroxymethylphenylamino) carbonyl) -pyrrol-1-yl) -3, 5-dihydroxyheptanoic acid hemicalcium salt and process for preparing intermediates used therein	大元制药株式会社	2022-02-25	—	—	CN	disclosed