SCHEMBL12459486

SCHEMBL12459486

CC(C)CC(c1ccc(C(=O)OCC(=O)OC(C)(C)C)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.38
TYR P14679 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ESR1 P03372 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ESR2 Q92731 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PTPRC P08575 1/20 0.35

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
SCHEMBL12459853 0.89 KMT2A (0.52) MEN1KMT2AGAAL3MBTL1MAPT
SCHEMBL12459475 0.83 PTPN1 (0.43) MEN1KMT2AGAAL3MBTL1TSHR
SCHEMBL12398855 0.81 KMT2A (0.46) MEN1KMT2AGAAL3MBTL1MAPK1
SCHEMBL22727941 0.80 CA1 (0.56) MEN1KMT2ATSHRMAPTCA12
SCHEMBL1856870 0.77 MAPK1 (0.66) MEN1KMT2AGAAL3MBTL1MAPK1
SCHEMBL24696132 0.75 MAPT (0.49) MEN1KMT2AGAATSHRMAPT
SCHEMBL2691863 0.75 MAPK1 (0.53) MEN1KMT2AGAAL3MBTL1MAPK1
SCHEMBL24696133 0.75 TSHR (0.45) MAPK1TSHRMAPTCA12CA1
SCHEMBL20987300 0.74 ELANE (0.56) MEN1KMT2AL3MBTL1ATMCA2
SCHEMBL29303886 0.73 NPC1 (0.46) MEN1KMT2AGAAL3MBTL1TSHR

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
WO-2011093520-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE COMPOSITION AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2011-08-04 WO disclosed