SCHEMBL17038019

SCHEMBL17038019

CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.43
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
BLM P54132 2/20 0.39
ATM Q13315 2/20 0.39
HIF1A Q16665 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 3/20 0.39
AGTR1 P30556 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30209 0.93 GAA (0.57) GAAKMT2AMEN1HTTPKM
SCHEMBL29923229 0.92 GAA (0.56) GAAKMT2AMEN1HTTPKM
SCHEMBL29764272 0.92 GAA (0.56) GAAKMT2AMEN1HTTPKM
SCHEMBL30005298 0.92 RXRA (0.44) GAAKMT2AALDH1A1RXRARXRB
SCHEMBL17791556 0.89 GAA (0.54) GAAKMT2AMEN1HTTPKM
SCHEMBL4916013 0.89 GAA (0.54) GAAKMT2AMEN1HTTPKM
SCHEMBL23759844 0.88 GAA (0.52) GAAKMT2AMEN1HTTPKM
SCHEMBL12641024 0.88 GAA (0.52) GAAKMT2AMEN1HTTPKM
SCHEMBL13335204 0.88 GAA (0.52) GAAKMT2AMEN1HTTPKM
SCHEMBL19865010 0.88 GAA (0.52) GAAKMT2AMEN1HTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701903-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2017-07-11 US disclosed
US-9701903-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2017-07-11 US disclosed
US-9422424-B2 Consistent slip masterbatch for polyethylene films INGENIA POLYMERS, INC. (US) 2016-08-23 US disclosed
US-20150240157-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-08-27 US disclosed
US-20150240157-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-08-27 US disclosed