SCHEMBL18012803

SCHEMBL18012803

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESPL1 Q14674 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ MAPT P10636 4/20 0.34
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GAA P10253 2/20 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
SCHEMBL18012804 0.90 MAPT (0.41) HTTLMNASMN1; SMN2CNR1NPSR1
SCHEMBL18012825 0.90 PDK2 (0.32) PKM
SCHEMBL29365660 0.89 ESPL1 (0.38) ESPL1HTTLMNASMN1; SMN2CNR1
SCHEMBL16556665 0.89 ESPL1 (0.38) ESPL1HTTLMNASMN1; SMN2CNR1
SCHEMBL18012805 0.87 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2AMAPTPOLB
SCHEMBL18012700 0.85 HDAC3 (0.35) ESPL1HTTLMNASMN1; SMN2CNR1
SCHEMBL18012755 0.83 KMT2A (0.39) ESPL1HTTLMNASMN1; SMN2CNR1
SCHEMBL18012634 0.83 MAPT (0.35) ESPL1HTTLMNASMN1; SMN2CNR1
SCHEMBL18122989 0.83 MAPT (0.36) ESPL1HTTNPSR1MEN1KMT2A
SCHEMBL17084321 0.83 MAPT (0.36) ESPL1HTTNPSR1MEN1KMT2A

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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