SCHEMBL18012829

SCHEMBL18012829

CCCCCC/C(=N\OC(C)=O)c1ccc2c(c1)C(CC)(CC)c1cc(/C(CC)=N/OC(C)=O)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.36
▸ PKM P14618 1/20 0.34
▸ HSD17B3 P37058 6/20 0.33
▸ MAPT P10636 3/20 0.33
▸ THRB P10828 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGS2 P35354 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ STS P08842 4/20 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
SCHEMBL18012785 0.93 PPARG (0.36) CA2PKMHSD17B3MAPT
SCHEMBL18012776 0.90 PKM (0.40) PKMMAPTTHRBL3MBTL1NPSR1
SCHEMBL18012820 0.89 CA2 (0.37) CA2PKMHSD17B3MAPTPTGS2
SCHEMBL18012833 0.88 MAPT (0.40) PKMMAPTTHRBL3MBTL1PTGS2
SCHEMBL18012773 0.86 CA2 (0.38) CA2PKMHSD17B3MAPTPTGS2
SCHEMBL18012818 0.85 PKM (0.37) PKMMAPTTHRBL3MBTL1NPSR1
SCHEMBL18012834 0.84 RAB9A (0.39) CA2PKMTHRBL3MBTL1
SCHEMBL18012626 0.83 THRA (0.39) CA2PKMMAPTTHRB
SCHEMBL21431241 0.83 CA2 (0.32) CA2PKM
SCHEMBL18012725 0.82 MAPT (0.42) PKMMAPT

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-2016126070-A1 NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 한국화학연구원 2016-08-11 — — WO disclosed
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