SCHEMBL16690145

SCHEMBL16690145

CCC(=O)O/N=C(\C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 6/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.35
PDE5A O76074 1/20 0.35

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
SCHEMBL16690234 0.99 HRH2 (0.38) ALDH1A1KMT2AMAPTHRH2HRH1
SCHEMBL16690180 0.93 MAPT (0.41) ALDH1A1KMT2AMAPTHRH2HRH1
SCHEMBL16690167 0.91 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTHRH2HRH1
SCHEMBL16690199 0.91 MAPT (0.39) ALDH1A1KMT2AMAPTHRH2HRH1
SCHEMBL16690203 0.90 MAPT (0.39) ALDH1A1KMT2AMAPTHRH2HRH1
SCHEMBL16690139 0.89 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTHRH2HRH1
SCHEMBL16690187 0.88 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTHRH2HRH1
SCHEMBL16690243 0.88 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1POLBLMNA
SCHEMBL16690209 0.88 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1POLBLMNA
SCHEMBL16690148 0.88 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTTDP1POLB

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-2015064958-A1 NOVEL OXIME ESTER BIPHENYL COMPOUND, PHOTO INITIATOR AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME 한국화학연구원 2015-05-07 WO disclosed