SCHEMBL18012790

SCHEMBL18012790

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ PLK1 P53350 10/20 0.31
▸ GAA P10253 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL18012701 0.89 OGG1 (0.34) MEN1KMT2APKMMAPT
SCHEMBL18012793 0.86 PDK2 (0.35) CYP2C19SMN1; SMN2L3MBTL1GAA
SCHEMBL18012697 0.86 ALK (0.32) PKMMAPT
SCHEMBL18012700 0.85 HDAC3 (0.35) MEN1HTTKMT2ASMN1; SMN2NPSR1
SCHEMBL18012818 0.85 PKM (0.37) MEN1CYP3A4CYP2D6CYP2C9CRHBP
SCHEMBL18012820 0.82 CA2 (0.37) CYP2C19PKMMAPT
SCHEMBL18012817 0.80 PDK2 (0.36) MEN1CYP2C19KMT2APKMMAPT
SCHEMBL18012737 0.79 PDK2 (0.38) PKM
SCHEMBL18012745 0.79 PDK2 (0.38) PKM
SCHEMBL18012730 0.78 MAPT (0.35) MEN1CYP3A4CYP2D6CYP2C9CRHBP

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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