SCHEMBL24030281

SCHEMBL24030281

CC(C)(O)C(C)(C)OBc1cccc2c1sc1cccc(Cl)c12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OGG1 O15527 1/20 0.31

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
SCHEMBL25140477 0.84 PARP14 (0.36) MAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL22311247 0.84 MCL1 (0.31) MCL1
SCHEMBL23557662 0.80 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL22249828 0.79 GPR3 (0.35) MAPK1MCL1ALDH1A1
SCHEMBL24033725 0.78 MAPK1 (0.32) MAPK1MCL1KDM4EALDH1A1L3MBTL1
SCHEMBL27452038 0.77 ALOX5 (0.36) MCL1
SCHEMBL24414511 0.77 MEN1 (0.33) MAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL22927004 0.77 PARP14 (0.35) MAPK1KDM4EALDH1A1L3MBTL1
SCHEMBL22311754 0.77 APEX1 (0.35) MCL1KDM4EALDH1A1L3MBTL1
SCHEMBL24033899 0.76 CYP3A4 (0.32) MAPK1L3MBTL1

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-2021230689-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-18 WO disclosed