SCHEMBL18012697

SCHEMBL18012697

CCCCC1(CCCC)c2cc(C#N)ccc2-c2ccc(/C(C/C(C)=N/OC(C)=O)=N\OC(C)=O)cc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.32
▸ MGLL Q99685 2/20 0.32
▸ PKM P14618 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 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
SCHEMBL18012790 0.86 MEN1 (0.32) PKMMAPT
SCHEMBL18012701 0.85 OGG1 (0.34) PKMALDH1A1MAPT
SCHEMBL18012793 0.83 PDK2 (0.35) —
SCHEMBL18012700 0.82 HDAC3 (0.35) MGLLPKMALDH1A1MAPT
SCHEMBL18012818 0.81 PKM (0.37) PKMMAPT
SCHEMBL18012788 0.81 ALK (0.31) ALK
SCHEMBL18012820 0.79 CA2 (0.37) PKMALDH1A1MAPT
SCHEMBL18012817 0.77 PDK2 (0.36) PKMMAPT
SCHEMBL18673351 0.77 ALK (0.36) ALKALDH1A1MAPT
SCHEMBL18012737 0.76 PDK2 (0.38) PKM

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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