SCHEMBL29523937

SCHEMBL29523937

CCCCC(CC)COc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDK2 Q15119 6/20 0.36
PDE4D Q08499 6/20 0.36
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LTA4H P09960 1/20 0.33
NR5A1 Q13285 1/20 0.33

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
SCHEMBL21793375 1.00 MEN1 (0.39) MEN1MAPTKMT2AL3MBTL1PDK2
SCHEMBL19149291 0.90 MAPK1 (0.38) MEN1MAPTKMT2AL3MBTL1PDK2
SCHEMBL29403730 0.90 MAPK1 (0.38) MEN1MAPTKMT2AL3MBTL1PDK2
SCHEMBL13910177 0.87 PDK2 (0.43) MEN1MAPTKMT2AL3MBTL1PDK2
SCHEMBL21793202 0.86 MEN1 (0.36) MEN1MAPTKMT2AL3MBTL1PDK2
SCHEMBL21793376 0.84 MEN1 (0.37) MEN1MAPTKMT2AL3MBTL1PDK2
SCHEMBL30673176 0.81 PDK2 (0.49) MEN1MAPTKMT2APDK2LMNA
SCHEMBL13889522 0.80 MAPT (0.41) MEN1MAPTKMT2AL3MBTL1PDK2
SCHEMBL3812804 0.80 PDK2 (0.40) MEN1MAPTKMT2APDK2LMNA
SCHEMBL12107999 0.78 NR5A1 (0.57) MEN1MAPTKMT2AL3MBTL1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520407-B Compound, coating composition comprising the same, organic light emitting diode using the same, and method for preparing the same 株式会社LG化学 2023-06-06 CN disclosed
CN-111527158-B Ink composition for organic light emitting device 株式会社LG化学 2022-05-31 CN disclosed
CN-110121493-B Coating composition, organic light emitting diode using the same, and method of manufacturing the same 株式会社LG化学 2022-04-01 CN disclosed