SCHEMBL24033725

SCHEMBL24033725

CC(C)(O)C(C)(C)OBc1ccc2sc3cccc(Cl)c3c2c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.32
MCL1 Q07820 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN12 Q05209 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
SCHEMBL21472389 0.82 PTPN7 (0.45) KDM4EALDH1A1L3MBTL1PTPN7DUSP3
SCHEMBL22276998 0.81 PTPN7 (0.33) PTPN7DUSP3PTPN12PTPN22
SCHEMBL24030281 0.78 MAPK1 (0.33) MAPK1MCL1KDM4EALDH1A1L3MBTL1
SCHEMBL24886391 0.77 PTPN7 (0.33) PTPN7DUSP3PTPN12PTPN22
SCHEMBL24030654 0.77 ALDH1A1 (0.31) MAPK1ALDH1A1L3MBTL1PTPN7DUSP3
SCHEMBL24033746 0.77 TTR (0.38)
SCHEMBL18164679 0.77 PTPN7 (0.37) KDM4EALDH1A1L3MBTL1PTPN7DUSP3
SCHEMBL22058742 0.77 PTPN7 (0.37) PTPN7DUSP3PTPN12PTPN22
SCHEMBL22195507 0.76 MAPK1 (0.40) MAPK1MCL1KDM4EALDH1A1L3MBTL1
SCHEMBL18767346 0.76 PTPN7 (0.33) PTPN7DUSP3PTPN12PTPN22MAPT

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-2021230688-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-18 WO disclosed