SCHEMBL5498940

SCHEMBL5498940

CN(C)CCCC(=CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.52
BCHE P06276 5/20 0.46
ACHE P22303 5/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GP6 Q9HCN6 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
NPY2R P49146 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MCL1 Q07820 1/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UTS2R Q9UKP6 1/20 0.38

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
SCHEMBL4405046 0.93 GRIK1 (0.54) GRIK1BCHEACHEKMT2AMEN1
SCHEMBL5499675 0.87 GRIK1 (0.49) GRIK1BCHEACHEKMT2AMEN1
SCHEMBL23934240 0.85 GRIK1 (0.55) GRIK1KMT2AMEN1KDM4EMCL1
SCHEMBL375312 0.85 GRIK1 (0.55) GRIK1KMT2AMEN1KDM4EMCL1
SCHEMBL393958 0.84 GRIK1 (0.54) GRIK1KMT2AMEN1KDM4E
SCHEMBL5725940 0.83 GRIK1 (0.56) GRIK1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL7107526 0.82 TDP1 (0.52) GRIK1KMT2AMEN1KDM4E
SCHEMBL7780529 0.82 TDP1 (0.52) GRIK1KMT2AMEN1KDM4E
SCHEMBL10904990 0.82 TDP1 (0.52) GRIK1KMT2AMEN1KDM4E
SCHEMBL11445983 0.82 TDP1 (0.52) GRIK1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980028-B1 Erasable image forming material TOSHIBA KK (JP) 2007-11-28 EP disclosed
US-6203603-B1 COLOR FORMER, DEVELOPER, MATRIX AND POLYMER DECOLORIZER KABUSHIKI KAISHA TOSHIBA (JP) 2001-03-20 US disclosed
EP-0980028-A1 Erasable image forming material KABUSHIKI KAISHA TOSHIBA (JP) 2000-02-16 EP disclosed
US-5180637-A Heat and moisture resistant SAKURA COLOR PRODUCTS CORPORATION (JP) 1993-01-19 US disclosed