SCHEMBL7616554

SCHEMBL7616554

COc1cccc(-c2c(NC(=O)Nc3c(C(C)C)cc(OCc4cccnc4)cc3C(C)C)c(=O)[nH]c3ncccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.43
HCRTR1 O43613 1/20 0.43
SOAT1 P35610 1/20 0.42
GPR132 Q9UNW8 1/20 0.42
PTAFR P25105 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
SCHEMBL6634626 0.87 LPAR1 (0.48) ACAT1SOAT1
SCHEMBL7606756 0.86 ACAT1 (0.53) ACAT1SOAT1GPR132PTAFR
SCHEMBL7606659 0.85 ACAT1 (0.57) ACAT1SOAT1GPR132PTAFR
SCHEMBL7609616 0.84 ACAT1 (0.61) ACAT1SOAT1GPR132PTAFR
SCHEMBL7607634 0.83 ACAT1 (0.58) ACAT1SOAT1GPR132PTAFR
SCHEMBL7608958 0.82 ACAT1 (0.67) ACAT1SOAT1PTAFR
SCHEMBL7607473 0.82 ACAT1 (0.64) ACAT1SOAT1PTAFR
SCHEMBL7613958 0.81 SOAT1 (0.58) ACAT1SOAT1GPR132PTAFR
SCHEMBL7610602 0.81 ACAT1 (0.59) ACAT1SOAT1PTAFR
SCHEMBL7614500 0.80 ACAT1 (0.54) ACAT1SOAT1GPR132PTAFR

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
US-6420381-B1 ACYL-COA: CHOLESTEROL ACYL TRANSFERASE (ACAT) INHIBITORY ACTIVITY, AND IS USEFUL AS AN AGENT FOR TREATMENT OF HYPERLIPIDEMIA AND ATHEROSCLEROSIS. SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-07-16 US disclosed
EP-1104763-A1 NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-06-06 EP disclosed