SCHEMBL6635528

SCHEMBL6635528

COc1cccc(-c2c(NC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)n(CC(=O)O)c3ncccc23)c1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.60
SOAT1 P35610 2/20 0.58
LPAR1 Q92633 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL8323620 0.93 ACAT1 (0.59) ACAT1SOAT1LPAR1RXFP1
SCHEMBL6636782 0.92 ACAT1 (0.63) ACAT1SOAT1LPAR1
SCHEMBL8324885 0.91 ACAT1 (0.60) ACAT1SOAT1LPAR1
SCHEMBL8327135 0.91 ACAT1 (0.59) ACAT1SOAT1LPAR1
SCHEMBL6634436 0.90 ACAT1 (0.68) ACAT1SOAT1LPAR1
SCHEMBL6635880 0.90 ACAT1 (0.68) ACAT1SOAT1LPAR1
SCHEMBL6634365 0.90 ACAT1 (0.58) ACAT1SOAT1LPAR1RXFP1
SCHEMBL8326925 0.90 ACAT1 (0.65) ACAT1SOAT1LPAR1RXFP1
SCHEMBL6634423 0.89 ACAT1 (0.65) ACAT1SOAT1LPAR1
SCHEMBL6635269 0.89 ACAT1 (0.63) ACAT1SOAT1RXFP1

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
EP-0842933-B1 NOVEL NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2004-08-04 EP disclosed
EP-0842933-A1 NOVEL NAPHTHYRIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-05-20 EP disclosed