SCHEMBL9157883

SCHEMBL9157883

CCCCCCCN(CCCCCBr)C(=O)Nc1ccc(F)cc1F

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.66
PPARG P37231 3/20 0.61
PPARA Q07869 3/20 0.61
PPARD Q03181 1/20 0.61
SOAT2 O75908 2/20 0.59

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
SCHEMBL9152529 0.89 SOAT1 (0.67) SOAT1PPARGPPARAPPARDSOAT2
SCHEMBL9424466 0.88 SOAT1 (0.66) SOAT1PPARGPPARAPPARDSOAT2
SCHEMBL9257327 0.86 SOAT1 (0.86) SOAT1PPARGPPARAPPARDSOAT2
SCHEMBL10587602 0.86 SOAT1 (0.86) SOAT1PPARGPPARAPPARDSOAT2
SCHEMBL9263972 0.84 SOAT1 (0.69) SOAT1PPARGPPARASOAT2
SCHEMBL10587594 0.84 SOAT1 (0.69) SOAT1PPARGPPARASOAT2
SCHEMBL28023966 0.83 PPARG (0.72) SOAT1PPARGPPARAPPARDSOAT2
SCHEMBL9256286 0.83 SOAT1 (0.74) SOAT1PPARGPPARAPPARDSOAT2
SCHEMBL9252473 0.83 SOAT1 (0.74) SOAT1PPARGPPARAPPARDSOAT2
SCHEMBL9784440 0.83 SOAT1 (0.81) SOAT1PPARGPPARAPPARDSOAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5478830-A Pyrazolo pyrimidines; inhibitors of acyl-coenzyme A and cholesterol acyltransferase; antihypercholesterolemic agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-26 US disclosed
US-5318984-A Anticholesterol agents which inhibit acetyl coenzyme A transferase THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-06-07 US disclosed
EP-0372445-B1 Imidazoles for the treatment of atherosclerosis DU PONT MERCK PHARMA (US) 1994-03-09 EP disclosed
US-5290801-A Anticholesterol or antilipemic agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-03-01 US disclosed
US-5166214-A Enzyme inhibitors for anticholesterol agents, enzyme inhibitor and cardiovascular disorders DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-11-24 US disclosed
WO-1991018885-A1 IMIDAZOLES FOR THE TREATMENT OF ATHEROSCLEROSIS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-12 WO disclosed
EP-0372445-A1 Imidazoles for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-06-13 EP disclosed