SCHEMBL16690207

SCHEMBL16690207

C/C(=N/OC(=O)C1CCCCC1)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 2/20 0.43
MAPT P10636 3/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16690210 0.90 ALDH1A1 (0.53) ALDH1A1POLBL3MBTL1ATMMAPT
SCHEMBL16690237 0.90 ALDH1A1 (0.53) ALDH1A1POLBL3MBTL1ATMMAPT
SCHEMBL16690220 0.89 ALDH1A1 (0.49) ALDH1A1POLBL3MBTL1ATMMAPT
SCHEMBL16690214 0.88 ALDH1A1 (0.47) ALDH1A1POLBL3MBTL1ATMRAB9A
SCHEMBL16690140 0.85 ALDH1A1 (0.42) ALDH1A1POLBL3MBTL1ATMMAPT
SCHEMBL16690188 0.84 ALDH1A1 (0.41) ALDH1A1POLBL3MBTL1ATMMAPT
SCHEMBL16690222 0.84 CES2 (0.42) ALDH1A1L3MBTL1MAPTRAB9ANPC1
SCHEMBL16690241 0.83 ALDH1A1 (0.44) ALDH1A1POLBL3MBTL1ATMMAPT
SCHEMBL16690148 0.81 ALDH1A1 (0.43) ALDH1A1POLBL3MBTL1ATMMAPT
SCHEMBL16690251 0.81 MAPT (0.41) ALDH1A1POLBL3MBTL1MAPTRAB9A

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