SCHEMBL18012817

SCHEMBL18012817

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 8/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PKM P14618 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL16556664 0.94 PDK2 (0.42) PDK2
SCHEMBL29365660 0.89 ESPL1 (0.38) PKMMAPTMEN1KMT2APOLB
SCHEMBL16556665 0.89 ESPL1 (0.38) PKMMAPTMEN1KMT2APOLB
SCHEMBL18012818 0.88 PKM (0.37) PDK2PKMMAPTCYP2C19MEN1
SCHEMBL18012730 0.88 MAPT (0.35) PDK2PKMMAPTCYP2C19MEN1
SCHEMBL17056201 0.87 PDK2 (0.41) PDK2PKMMAPTMEN1KMT2A
SCHEMBL16477975 0.87 PPARG (0.33) PDK2RAB9AMAPTMEN1KMT2A
SCHEMBL18012642 0.87 RAB9A (0.39) PDK2RAB9APKMMAPTNPY1R
SCHEMBL17084360 0.86 PDK2 (0.41) PDK2
SCHEMBL18012825 0.86 PDK2 (0.32) PDK2PKMCYP2C19

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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