SCHEMBL16690183

SCHEMBL16690183

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
KMT2A Q03164 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
POLB P06746 3/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.44
TSHR P16473 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
CES1 P23141 1/20 0.42

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
SCHEMBL16690182 0.89 MAPK1 (0.47) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL16690175 0.89 HDAC3 (0.46) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16690176 0.87 ALDH1A1 (0.50) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16690172 0.86 MAPK1 (0.47) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16690249 0.84 CES1 (0.47) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5314839 0.82 MAPT (0.64) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5314844 0.82 MAPT (0.64) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16690153 0.80 CES1 (0.52) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16690230 0.78 ALDH1A1 (0.46) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL16690229 0.78 ALDH1A1 (0.50) MAPTKMT2ASMN1; SMN2NPC1RAB9A

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