SCHEMBL16690175

SCHEMBL16690175

CCCCC(=NOC(=O)CC)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MAPT P10636 13/20 0.45
KMT2A Q03164 7/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX12 P18054 1/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
MAPK1 P28482 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
SCHEMBL16690176 0.95 ALDH1A1 (0.50) HDAC3HDAC1HDAC2MAPTKMT2A
SCHEMBL16690160 0.89 MAPT (0.45) HDAC3HDAC1HDAC2MAPTKMT2A
SCHEMBL16690183 0.89 MAPT (0.46) MAPTKMT2ABCL9CTNNB1ALDH1A1
SCHEMBL16690156 0.85 ALDH1A1 (0.51) HDAC3HDAC1HDAC2MAPTKMT2A
SCHEMBL16690230 0.83 ALDH1A1 (0.46) HDAC3HDAC1HDAC2MAPTKMT2A
SCHEMBL16690166 0.82 MAPT (0.51) HDAC3HDAC1HDAC2MAPTKMT2A
SCHEMBL16690273 0.81 MAPT (0.48) HDAC3HDAC1HDAC2MAPTKMT2A
SCHEMBL16690172 0.81 MAPK1 (0.47) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL16690228 0.80 MAPT (0.49) HDAC3HDAC1HDAC2MAPTKMT2A
SCHEMBL16690249 0.79 CES1 (0.47) MAPTKMT2AALDH1A1SMN1; SMN2MEN1

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