SCHEMBL29407519

SCHEMBL29407519

CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4cccc5ccccc45)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ PPARG P37231 6/20 0.38
▸ PPARA Q07869 6/20 0.38
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL13367457 1.00 PDK2 (0.42) PDK2HDAC8HDAC6PPARGPPARA
SCHEMBL25568648 0.95 PDK2 (0.40) PDK2HDAC8HDAC6PPARGPPARA
SCHEMBL27012236 0.93 PDK2 (0.39) PDK2HDAC8HDAC6PPARGPPARA
SCHEMBL31245664 0.93 ALDH1A1 (0.39) PDK2HDAC8HDAC6PPARGPPARA
SCHEMBL25569016 0.92 PDK2 (0.40) PDK2HDAC8HDAC6PPARGPPARA
SCHEMBL24742442 0.92 HDAC8 (0.39) PDK2HDAC8HDAC6PPARGPPARA
SCHEMBL10034426 0.92 MCL1 (0.39) PDK2HDAC8HDAC6PPARGPPARA
SCHEMBL16366120 0.91 CA12 (0.42) PDK2HDAC8HDAC6PPARGPPARA
SCHEMBL31058374 0.91 PDK2 (0.41) PDK2HDAC8HDAC6ALDH1A1MAPT
SCHEMBL23137765 0.91 PDK2 (0.41) PDK2HDAC8HDAC6ALDH1A1MAPT

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-114207863-B Organic light emitting device 株式会社LG化学 2025-03-28 — — CN disclosed
WO-2022260240-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2022-12-15 — — WO disclosed
CN-114207863-A Organic light emitting device 株式会社LG化学 2022-03-18 — — CN disclosed
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