SCHEMBL16690243

SCHEMBL16690243

O=C(/C(=N\OC(=O)C1CCCCC1)C1CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 4/20 0.41
ATM Q13315 1/20 0.41
NPC1 O15118 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PKM P14618 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
ELANE P08246 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
SCHEMBL16690209 1.00 ALDH1A1 (0.47) ALDH1A1POLBL3MBTL1RAB9AATM
SCHEMBL16690139 0.91 ALDH1A1 (0.39) ALDH1A1POLBL3MBTL1RAB9AATM
SCHEMBL16690187 0.90 ALDH1A1 (0.40) ALDH1A1POLBRAB9AATMNPC1
SCHEMBL16690259 0.89 ALDH1A1 (0.42) ALDH1A1POLBRAB9ANPC1TDP1
SCHEMBL16690214 0.89 ALDH1A1 (0.47) ALDH1A1POLBL3MBTL1RAB9AATM
SCHEMBL16690145 0.88 ALDH1A1 (0.39) ALDH1A1POLBL3MBTL1RAB9ANPC1
SCHEMBL16690210 0.87 ALDH1A1 (0.53) ALDH1A1POLBL3MBTL1RAB9AATM
SCHEMBL16690234 0.87 HRH2 (0.38) ALDH1A1POLBL3MBTL1RAB9ANPC1
SCHEMBL16690237 0.87 ALDH1A1 (0.53) ALDH1A1POLBL3MBTL1RAB9AATM
SCHEMBL16690180 0.86 MAPT (0.41) ALDH1A1POLBL3MBTL1RAB9ANPC1

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