SCHEMBL7992017

SCHEMBL7992017

CC(=O)OCc1ccc(-c2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 5/20 0.42
AR P10275 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 3/20 0.38
RAB9A P51151 4/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MMP13 P45452 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MEN1 O00255 1/20 0.37
MAPK13 O15264 1/20 0.37
RIPK2 O43353 1/20 0.37
GMNN O75496 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
SCHEMBL7988263 0.87 CHEK2 (0.44) NPBWR1MAPTALDH1A1HTTRAB9A
SCHEMBL7995651 0.86 SIRT2 (0.41) MAPTMMP2MMP9MEN1TP53
SCHEMBL7995167 0.84 MAPK14 (0.54) NPBWR1MAPTALDH1A1HTTRAB9A
SCHEMBL7977715 0.79 MAPT (0.51) MAPTALDH1A1HTTRAB9AL3MBTL1
SCHEMBL7992024 0.78 AR (0.58) NPBWR1ARMAPTHTTRAB9A
SCHEMBL7988289 0.77 GCGR (0.39) MAPTTP53ALOX5
SCHEMBL7977722 0.76 NPBWR1 (0.53) NPBWR1ARMAPTHTTRAB9A
SCHEMBL7988441 0.75 AR (0.55) NPBWR1ARMAPTALDH1A1HTT
SCHEMBL28914603 0.74 AR (0.54) NPBWR1ARMAPTALDH1A1HTT
SCHEMBL7989862 0.74 AR (0.54) NPBWR1ARMAPTALDH1A1HTT

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed