SCHEMBL7817502

SCHEMBL7817502

CC(C)c1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CCC1CC(O)CC(=O)O1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.84
▸ SLCO1B1 Q9Y6L6 2/20 0.84
▸ ABCB1 P08183 1/20 0.84
▸ ABCC2 Q92887 1/20 0.84
▸ NR1I2 O75469 1/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ RHOC P08134 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ NR1H4 Q96RI1 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50

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
SCHEMBL7817499 1.00 HMGCR (0.84) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL1258955 0.92 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL13762456 0.92 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL12060138 0.92 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL10025147 0.92 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL1266 0.92 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL12648491 0.92 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
Atorvastatin Lactone SCHEMBL1265 0.92 HMGCR (1.00) HMGCRSLCO1B1ABCB1ABCC2NR1I2
SCHEMBL5605464 0.91 HMGCR (0.93) HMGCRSLCO1B1ABCB1ABCC2NR1I2
SCHEMBL5605468 0.91 HMGCR (0.93) HMGCRSLCO1B1ABCB1ABCC2NR1I2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016142954-A2 IMPROVED PROCESS FOR THE PREPARATION OF [3R,5R]-2-FLUOROPHENYL-β,δ- DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(2-HYDROXYPHENYLAMINO)- CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID, SODIUM SALT MSN LABORATORIES PRIVATE LIMITED (IN) 2016-09-15 — — WO disclosed
EP-0680963-B1 (Hydroxyphenylamino)carbonyl pyrroles WARNER LAMBERT CO (US) 2001-11-21 — — EP disclosed
EP-0680963-A1 (Hydroxyphenylamino)carbonyl pyrroles WARNER-LAMBERT COMPANY (US) 1995-11-08 — — EP disclosed
US-5385929-A Anticholesterol agents WARNER-LAMBERT COMPANY (US) 1995-01-31 — — US disclosed
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