SCHEMBL16690161

SCHEMBL16690161

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
MAPT P10636 7/20 0.38
KMT2A Q03164 5/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
LMNA P02545 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL16690200 0.91 ALDH1A1 (0.41) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL16690168 0.91 ALDH1A1 (0.41) ALDH1A1TDP1BCL9CTNNB1MAPT
SCHEMBL16690256 0.88 CES2 (0.42) ALDH1A1TDP1MAPTKMT2APOLB
SCHEMBL16690178 0.87 ALDH1A1 (0.42) ALDH1A1TDP1BCL9CTNNB1MAPT
SCHEMBL16690272 0.85 ALDH1A1 (0.47) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL16690149 0.85 ALDH1A1 (0.47) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL16690165 0.84 ALDH1A1 (0.43) ALDH1A1TDP1BCL9CTNNB1MAPT
SCHEMBL16690250 0.84 KMT2A (0.39) ALDH1A1TDP1MAPTKMT2AKDM4E
SCHEMBL16690201 0.83 CES2 (0.44) ALDH1A1TDP1BCL9CTNNB1MAPT
SCHEMBL16690159 0.82 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKMT2AKDM4E

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