SCHEMBL28068440

SCHEMBL28068440

COc1c(N=Cc2ccccc2O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 6/20 0.44
MAPT P10636 6/20 0.44
GAA P10253 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 3/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL12416829 0.84 CA12 (0.53) CA12CA2CA9KMT2AMAPT
SCHEMBL13376133 0.81 GAA (0.44) CA12KMT2AMAPTGAAALDH1A1
SCHEMBL12204285 0.81 CA12 (0.46) CA12CA2CA9KMT2AMAPT
SCHEMBL12416805 0.74 MAPT (0.53) CA12KMT2AMAPTGAAALDH1A1
SCHEMBL16627924 0.74 SIRT2 (0.61) CA12CA2CA9KMT2AMAPT
SCHEMBL29690349 0.72 GAA (0.52) CA12CA2CA9KMT2AMAPT
SCHEMBL13379302 0.72 RARG (0.39) CA2MAPTALDH1A1SMN1; SMN2ALOX15
SCHEMBL18859066 0.72 ALOX5 (0.57) CA12CA2CA9KMT2AMAPT
SCHEMBL1228536 0.72 ALOX5 (0.57) CA12CA2CA9KMT2AMAPT
SCHEMBL29583508 0.72 ALOX5 (0.57) CA12CA2CA9KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105524217-A Bimodal molecular weight distributed cycloolefin copolymer and preparation method thereof UNIV ZHEJIANG 2016-04-27 CN disclosed