SCHEMBL16690139

SCHEMBL16690139

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE5A O76074 1/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
ADAMTS4 O75173 1/20 0.36
ACHE P22303 1/20 0.36
KMT2A Q03164 3/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL16690187 0.99 ALDH1A1 (0.40) ALDH1A1TDP1ATMNPC1RAB9A
SCHEMBL16690243 0.91 ALDH1A1 (0.47) ALDH1A1TDP1ATMNPC1RAB9A
SCHEMBL16690209 0.91 ALDH1A1 (0.47) ALDH1A1TDP1ATMNPC1RAB9A
SCHEMBL16690145 0.89 ALDH1A1 (0.39) ALDH1A1TDP1NPC1RAB9APOLB
SCHEMBL16690234 0.88 HRH2 (0.38) ALDH1A1TDP1NPC1RAB9APOLB
SCHEMBL16690259 0.88 ALDH1A1 (0.42) ALDH1A1TDP1NPC1RAB9APOLB
SCHEMBL16690244 0.88 ALDH1A1 (0.41) ALDH1A1TDP1ATMNPC1RAB9A
SCHEMBL16690180 0.88 MAPT (0.41) ALDH1A1TDP1NPC1RAB9APOLB
SCHEMBL16690140 0.87 ALDH1A1 (0.42) ALDH1A1TDP1ATMRAB9APOLB
SCHEMBL16690167 0.86 ALDH1A1 (0.40) ALDH1A1TDP1POLBLMNAHTT

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