SCHEMBL7968407

SCHEMBL7968407

O=C1OC(c2ccccc2)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C(O)=C1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
GSK3B P49841 1/20 0.38
APP P05067 1/20 0.37
AR P10275 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL7965276 0.90 HSPB1 (0.40) POLBMAPK1KMT2AMEN1MAPT
SCHEMBL7539856 0.86 ABCG2 (0.37) POLBMAPK1MAPTRAB9A
SCHEMBL6932601 0.85 CFTR (0.43) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL7971836 0.81 APP (0.49) POLBKMT2AMEN1MAPTL3MBTL1
SCHEMBL6026158 0.81 CFTR (0.50) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL7956413 0.80 CFTR (0.39) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL7966642 0.80 CYP1A2 (0.41) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6026268 0.80 CFTR (0.39) POLBKMT2AMEN1MAPTL3MBTL1
SCHEMBL7966269 0.79 LMNA (0.40) POLBMAPTALDH1A1LMNAMMP2
SCHEMBL6932670 0.79 MDM2 (0.38) POLBKMT2AMEN1MAPTALDH1A1

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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed