SCHEMBL24969171

SCHEMBL24969171

CC1(C)c2ccccc2-c2c(-c3ccccc3)cc(Nc3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)cc(-c5ccccc5)c3-4)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 9/20 0.38
▸ APP P05067 1/20 0.33
▸ PGR P06401 2/20 0.32
▸ IKBKB O14920 1/20 0.31
▸ CHUK O15111 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ ABCC1 P33527 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ CAMK1D Q8IU85 1/20 0.30
▸ FSHR P23945 1/20 0.30
▸ STK10 O94804 1/20 0.30
▸ SLK Q9H2G2 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
SCHEMBL22151603 0.90 PDK2 (0.38) PDK2APPPGRIKBKBCHUK
SCHEMBL25867153 0.88 FABP3 (0.34) PDK2PGRIKBKBCHUK
SCHEMBL28418620 0.86 PDK2 (0.44) PDK2APPPGRIKBKBCHUK
SCHEMBL30691834 0.85 ALDH1A1 (0.45) PDK2
SCHEMBL26983129 0.85 ALDH1A1 (0.45) PDK2
SCHEMBL30691830 0.85 ALDH1A1 (0.45) PDK2
SCHEMBL24968708 0.84 PDK2 (0.44) PDK2APPPGRABCB1ABCC1
SCHEMBL18201431 0.84 PDK2 (0.46) PDK2APPPGRABCB1ABCC1
SCHEMBL24969757 0.84 PDK2 (0.43) PDK2APPPGRABCB1ABCC1
SCHEMBL30317764 0.84 PDK2 (0.46) PDK2APPPGRABCB1ABCC1

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-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 — — WO disclosed
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