SCHEMBL16690249

SCHEMBL16690249

CCC(=O)O/N=C(/C)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.47
MAPK1 P28482 2/20 0.45
MAPT P10636 10/20 0.44
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 3/20 0.43
CES2 O00748 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL16690195 0.90 BCL9 (0.51) CES1MAPK1MAPTKMT2ASMN1; SMN2
SCHEMBL16690228 0.88 MAPT (0.49) CES1MAPK1MAPTKMT2ASMN1; SMN2
SCHEMBL16690251 0.87 MAPT (0.41) CES1MAPK1MAPTKMT2ASMN1; SMN2
SCHEMBL16690172 0.87 MAPK1 (0.47) MAPK1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL16690221 0.87 CES1 (0.53) CES1MAPK1MAPTKMT2ANPC1
SCHEMBL16690183 0.84 MAPT (0.46) CES1MAPK1MAPTKMT2ASMN1; SMN2
SCHEMBL16690153 0.83 CES1 (0.52) CES1MAPK1MAPTKMT2ASMN1; SMN2
SCHEMBL16690230 0.81 ALDH1A1 (0.46) CES1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL16690261 0.81 CES1 (0.56) CES1MAPK1MAPTKMT2ASMN1; SMN2
SCHEMBL16690229 0.80 ALDH1A1 (0.50) CES1MAPTKMT2ASMN1; SMN2NPC1

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