SCHEMBL18012804

SCHEMBL18012804

CCCCC1(CCCC)c2cc(C(=N\OC(=O)c3ccccc3)/C(C)=N/OC(=O)c3ccccc3)ccc2-c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ HTT P42858 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 8/20 0.39
▸ KMT2A Q03164 8/20 0.39
▸ POLB P06746 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ AHR P35869 1/20 0.38
▸ XDH P47989 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16556670 0.90 XDH (0.43) MAPTNPC1HTTRAB9AALDH1A1
SCHEMBL16550621 0.90 XDH (0.43) MAPTNPC1HTTRAB9AALDH1A1
SCHEMBL18012803 0.90 ESPL1 (0.36) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL18012805 0.83 ALDH1A1 (0.45) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL18012731 0.82 KMT2A (0.41) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL18012755 0.81 KMT2A (0.39) MAPTNPC1HTTRAB9AALDH1A1
SCHEMBL18012759 0.81 SMN1; SMN2 (0.42) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL18012631 0.80 CES2 (0.37) MAPTNPC1HTTRAB9AALDH1A1
SCHEMBL18012825 0.80 PDK2 (0.32) PKMCYP2C19
SCHEMBL16556665 0.80 ESPL1 (0.38) MAPTHTTALDH1A1MEN1KMT2A

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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