SCHEMBL6047486

SCHEMBL6047486

CC(CC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CC(C)(C)NC(C)(C)C1)C(C(=O)O)(C(=O)O)C1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.39
GAA P10253 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
BLM P54132 1/20 0.30
ATM Q13315 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
SCHEMBL6047482 0.73 HMGCR (0.36) HMGCRGAAMEN1KMT2AHTT
SCHEMBL5075835 0.69 ALDH1A1 (0.39) HMGCRGAAMEN1KMT2AMGAM
SCHEMBL7795986 0.69 ALDH1A1 (0.36) HMGCRGAAMEN1KMT2AMGAM
SCHEMBL11489217 0.68 HMGCR (0.43) HMGCRGAAMEN1KMT2AMGAM
SCHEMBL7795980 0.67 ALDH1A1 (0.37) HMGCRGAAMEN1KMT2AMGAM
SCHEMBL1263508 0.67 HMGCR (0.35) HMGCRGAAMEN1KMT2AMGAM
SCHEMBL1768973 0.66 HMGCR (0.36) HMGCRGAAMEN1KMT2AALDH1A1
SCHEMBL9813579 0.66 KMT2A (0.48) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL13856763 0.65 GAA (0.55) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL27695512 0.65 KMT2A (0.32) HMGCRGAAMEN1KMT2AALDH1A1

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