SCHEMBL22316901

SCHEMBL22316901

CC(C)(O)C(C)(C)OBc1ccc2oc3c4ccccc4ccc3c2c1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ARSA P15289 1/20 0.33
▸ CDC25A P30304 1/20 0.33
▸ CDC25C P30307 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ CYP1A1 P04798 9/20 0.32
▸ CYP1B1 Q16678 9/20 0.32
▸ CYP1A2 P05177 8/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ABCG2 Q9UNQ0 2/20 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
SCHEMBL22307695 0.92 L3MBTL1 (0.34) IKBKBL3MBTL1KDM4EHPGDMAPT
SCHEMBL23449994 0.85 AHR (0.37) IKBKBL3MBTL1KDM4EHPGDMAPT
SCHEMBL23449840 0.84 IKBKB (0.34) IKBKBL3MBTL1KDM4EHPGDMAPT
SCHEMBL22316785 0.83 ADRB2 (0.36) L3MBTL1KMT2ANPC1AHR
SCHEMBL22316897 0.82 — —
SCHEMBL15889050 0.82 CYP2A6 (0.40) L3MBTL1KDM4EHPGDMAPTCYP1A2
SCHEMBL22307276 0.81 CSNK2A2 (0.35) IKBKBL3MBTL1KDM4EHPGDMAPT
SCHEMBL25466295 0.81 IKBKB (0.34) IKBKBL3MBTL1KDM4EHPGDMAPT
SCHEMBL22316339 0.81 CSNK2A2 (0.35) L3MBTL1KDM4EHPGDMAPTHTT
SCHEMBL24034359 0.79 L3MBTL1 (0.34) IKBKBL3MBTL1MAPTKMT2ANPC1

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-2020159337-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-08-06 — — WO disclosed
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