SCHEMBL23020133

SCHEMBL23020133

CC1(C)OB(c2cc(C#N)cc(-c3cccc(C#N)c3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 7/20 0.44
▸ LPL P06858 6/20 0.44
▸ PGR P06401 6/20 0.42
▸ AR P10275 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ XDH P47989 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ CHEK1 O14757 1/20 0.36

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
SCHEMBL20870643 0.92 LIPG (0.53) LIPGLPLPGRARGABRA1
SCHEMBL18305771 0.91 LIPG (0.46) LIPGLPLPGRARCLK4
SCHEMBL21628353 0.90 LIPG (0.57) LIPGLPLPGR
SCHEMBL29435465 0.87 LIPG (0.61) LIPGLPLPGRARCLK4
SCHEMBL19584801 0.87 LIPG (0.61) LIPGLPLPGRARCLK4
SCHEMBL21302784 0.85 LIPG (0.46) LIPGLPLPGRAR
SCHEMBL31625285 0.85 PTPN5 (0.39) LIPGLPLPGRAR
SCHEMBL24443047 0.85 LIPG (0.43) LIPGLPLPGRGABRA1GABRG2
SCHEMBL760732 0.85 LIPG (0.48) LIPGLPLPGRCLK4
SCHEMBL29616996 0.85 LIPG (0.48) LIPGLPLPGRCLK4

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-3392242-B1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2021-02-24 — — EP disclosed
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