SCHEMBL2328773

SCHEMBL2328773

CC1(C)CC(OC(=O)O)C(C)(C)N1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
EZH2 Q15910 5/20 0.34
POLB P06746 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APLNR P35414 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 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
SCHEMBL17931123 0.81 GAA (0.35) GAAMEN1PKMKMT2AEZH2
SCHEMBL17931345 0.81 GAA (0.35) GAAMEN1PKMKMT2AEZH2
SCHEMBL2332149 0.81 MEN1 (0.39) GAAMEN1PKMKMT2AEZH2
SCHEMBL17931105 0.81 MEN1 (0.36) GAAMEN1PKMKMT2AEZH2
SCHEMBL18948188 0.81 GAA (0.35) GAAMEN1PKMKMT2AEZH2
SCHEMBL17931218 0.79 GAA (0.34) GAAMEN1PKMKMT2APOLB
SCHEMBL17931082 0.79 MEN1 (0.35) GAAMEN1PKMKMT2AEZH2
SCHEMBL4552228 0.78 ALDH1A1 (0.33) GAAMEN1PKMKMT2AATM
SCHEMBL4552796 0.78 GAA (0.33) GAAMEN1PKMKMT2AATM
SCHEMBL17931132 0.77 NAAA (0.39) GAAMEN1PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904497-B1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2011-08-17 EP disclosed
EP-2007857-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS BASF SE (DE) 2008-12-31 EP disclosed
EP-1904497-A1 SUBSTITUTED RYLENE DERIVATIVES BASF SE (DE) 2008-04-02 EP disclosed
WO-2007099059-A1 USE OF RYLENES AS MARKERS FOR LIQUIDS BASF SE (DE) 2007-09-07 WO disclosed
EP-1819678-A1 RYLENE TETRACARBOXYLIC ACID DIIMIDES SUBSTITUTED BY CYCLIC AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2007-08-22 EP disclosed
WO-2007006717-A1 SUBSTITUTED RYLENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2007-01-18 WO disclosed
WO-2006058674-A1 RYLENE TETRACARBOXYLIC ACID DIIMIDES SUBSTITUTED BY CYCLIC AMINO GROUPS BASF AKTIENGESELLSCHAFT (DE) 2006-06-08 WO disclosed