SCHEMBL25466295

SCHEMBL25466295

CC(C)(O)C(C)(C)OBc1cncc2oc3c4ccccc4ccc3c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ABCG2 Q9UNQ0 4/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP1A1 P04798 3/20 0.31
▸ CYP1A2 P05177 3/20 0.31
▸ CYP1B1 Q16678 3/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CFTR P13569 1/20 0.31
▸ ABCC1 P33527 1/20 0.30
▸ ARSA P15289 1/20 0.30
▸ CDC25A P30304 1/20 0.30
▸ CDC25C P30307 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ HTT P42858 1/20 0.30
▸ PAX8 Q06710 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
SCHEMBL23946770 0.84 ADRB2 (0.35) KDM4EHPGDL3MBTL1KMT2AALDH1A1
SCHEMBL25494446 0.83 NPC1 (0.34) L3MBTL1ABCG2KMT2APOLBMAPT
SCHEMBL23947072 0.83 AHR (0.39) —
SCHEMBL23943891 0.82 — —
SCHEMBL23449994 0.82 AHR (0.37) IKBKBKDM4EHPGDL3MBTL1KMT2A
SCHEMBL22316901 0.81 IKBKB (0.34) IKBKBKDM4EHPGDL3MBTL1ABCG2
SCHEMBL24034359 0.80 L3MBTL1 (0.34) IKBKBL3MBTL1ABCG2KMT2APOLB
SCHEMBL25466371 0.80 HIPK2 (0.32) —
SCHEMBL25466365 0.80 KDM4E (0.32) KDM4E
SCHEMBL25466303 0.79 IKBKB (0.34) IKBKBKDM4EHPGDL3MBTL1ABCG2

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-2023085834-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 — — WO disclosed
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