SCHEMBL7613883

SCHEMBL7613883

C=CCCCn1c(=O)c(C(=O)O)c(-c2cccc(OC)c2)c2cccnc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.46
SOAT1 P35610 1/20 0.45
EDNRB P24530 1/20 0.44
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL6640973 0.91 ACAT1 (0.52) ACAT1SOAT1EDNRB
SCHEMBL6638660 0.88 ACAT1 (0.49) ACAT1SOAT1EDNRBMAPTTHRB
SCHEMBL6636150 0.86 EDNRB (0.49) ACAT1SOAT1EDNRBMAPTTHRB
SCHEMBL6635742 0.86 SOAT1 (0.45) ACAT1SOAT1EDNRBMAPTTHRB
SCHEMBL6634385 0.85 EDNRB (0.46) ACAT1SOAT1EDNRBMAPTTHRB
SCHEMBL6639134 0.84 EDNRB (0.44) ACAT1SOAT1EDNRBMAPTTHRB
SCHEMBL7734565 0.83 ACAT1 (0.53) ACAT1SOAT1MAPTTHRB
SCHEMBL6634147 0.82 DHODH (0.45) EDNRBMAPTTHRBALDH1A1
SCHEMBL7735514 0.81 ACAT1 (0.50) ACAT1SOAT1ALDH1A1
SCHEMBL8330484 0.81 ACAT1 (0.67) ACAT1SOAT1

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