SCHEMBL16690230

SCHEMBL16690230

CCCCC/C(=N/OC(=O)CC)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MAPT P10636 11/20 0.43
KMT2A Q03164 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
CES1 P23141 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL16690273 0.88 MAPT (0.48) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL16690176 0.85 ALDH1A1 (0.50) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL16690184 0.85 BCL9 (0.50) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL16690233 0.84 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ACES1MEN1
SCHEMBL16690175 0.83 HDAC3 (0.46) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL16690161 0.82 ALDH1A1 (0.43) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL16690249 0.81 CES1 (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2CES1
SCHEMBL16690152 0.80 ALDH1A1 (0.51) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL16690228 0.80 MAPT (0.49) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL16690223 0.79 CES1 (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2CES1

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