SCHEMBL13345191

SCHEMBL13345191

C[Si]1(C)c2ccccc2-c2cc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5ccccc5)cc4c(-c4cccc5ccccc45)c3cc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ PPARG P37231 8/20 0.33
▸ PPARA Q07869 8/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ SLC6A9 P48067 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ TNF P01375 1/20 0.32

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
SCHEMBL18904327 0.94 MCL1 (0.37) CA12CA1CA2CA9PPARG
SCHEMBL13345061 0.93 CA12 (0.37) CA12CA1CA2CA9PPARG
SCHEMBL13304218 0.93 CA12 (0.36) CA12CA1CA2CA9PPARG
SCHEMBL13345168 0.93 ENPP3 (0.36) CA12CA1CA2CA9PPARG
SCHEMBL13304221 0.92 MCL1 (0.34) CA12CA1CA2CA9PPARG
SCHEMBL13304222 0.91 CA12 (0.33) CA12CA1CA2CA9PPARG
SCHEMBL13345065 0.91 MCL1 (0.35) CA12CA1CA2CA9PPARG
SCHEMBL13304259 0.91 PIM1 (0.33) CA12CA1CA2CA9HSD17B1
SCHEMBL13303885 0.91 CA12 (0.37) CA12CA1CA2CA9PPARG
SCHEMBL13344667 0.90 CA12 (0.33) CA12CA1CA2CA9SLC6A9

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
EP-2202283-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-06-30 — — EP disclosed
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