SCHEMBL15046385

SCHEMBL15046385

CC(C)(C)c1ccc(N2c3ccccc3C(C)(C)c3cc4c(cc32)C(C)(C)c2cc(CO)ccc2-4)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.39
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ IKBKB O14920 1/20 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
SCHEMBL15046310 0.90 PDK2 (0.36) PDK2CNR1CNR2IKBKB
SCHEMBL15046281 0.89 PDK2 (0.40) PDK2CNR1CNR2
SCHEMBL15046113 0.88 PDK2 (0.42) PDK2
SCHEMBL15046115 0.85 FSHR (0.31) PDK2
SCHEMBL15019957 0.84 PDK2 (0.34) PDK2
SCHEMBL15046420 0.81 NR1H2 (0.40) PDK2
SCHEMBL15046112 0.81 NR1H2 (0.38) —
SCHEMBL15046373 0.81 PDK2 (0.45) PDK2
SCHEMBL25582901 0.81 NR1H2 (0.35) PDK2
SCHEMBL15046355 0.80 NR1H2 (0.39) PDK2

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-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 — — WO disclosed
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