SCHEMBL6047482

SCHEMBL6047482

CCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C(=O)O)(C(=O)OC1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.36
GAA P10253 3/20 0.34
PKM P14618 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL1892399 0.88 HMGCR (0.34) HMGCRGAAPKMHTTKMT2A
SCHEMBL1768973 0.78 HMGCR (0.36) HMGCRGAAPKMHTTKMT2A
SCHEMBL11489217 0.75 HMGCR (0.43) HMGCRGAAPKMHTTKMT2A
SCHEMBL31363 0.74 ALDH1A1 (0.36) HMGCRGAAPKMHTTKMT2A
SCHEMBL5075832 0.74 ALDH1A1 (0.41) HMGCRGAAPKMHTTKMT2A
SCHEMBL20428970 0.74 ALDH1A1 (0.41) HMGCRGAAPKMHTTKMT2A
SCHEMBL13599660 0.74 ALDH1A1 (0.39) HMGCRGAAPKMHTTKMT2A
SCHEMBL12897908 0.74 KMT2A (0.35) HMGCRGAAPKMHTTKMT2A
SCHEMBL6047486 0.73 HMGCR (0.39) HMGCRGAAHTTKMT2AMEN1
SCHEMBL14137229 0.72 GAA (0.39) HMGCRGAAPKMHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8668850-B2 Flame-retarded foamed plastic compositions and shaped articles DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2014-03-11 US claimed
US-8668850-B2 Flame-retarded foamed plastic compositions and shaped articles DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2014-03-11 US disclosed
US-20060229372-A1 Flame-retarded foamed plastic compositions and shaped articles DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-12 US disclosed