SCHEMBL7971836

SCHEMBL7971836

Cc1ccc(-c2ccc(C3(c4ccc([N+](=O)[O-])cc4)OC(=O)C(O)=C3O)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
MAPT P10636 4/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
RAB9A P51151 3/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
AR P10275 1/20 0.34
EIF4A1 P60842 1/20 0.34
NOTUM Q6P988 1/20 0.34
XDH P47989 1/20 0.34
KMT2A Q03164 3/20 0.33
TNKS O95271 2/20 0.33
PARP1 P09874 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7967042 0.86 PGR (0.36) APPMAPTALDH1A1POLBRAB9A
SCHEMBL7969007 0.85 MAPT (0.35) APPMAPTALDH1A1POLBCTDSP1
SCHEMBL7968407 0.81 POLB (0.46) APPMAPTALDH1A1POLBRAB9A
SCHEMBL7965276 0.79 HSPB1 (0.40) APPMAPTALDH1A1POLBCTDSP1
SCHEMBL7968549 0.79 MAPT (0.41) MAPTALDH1A1POLBRAB9AAR
SCHEMBL7971994 0.78 PGR (0.37) APP
SCHEMBL7972386 0.78 MAPT (0.40) MAPTALDH1A1POLBRAB9AKMT2A
SCHEMBL7968467 0.78 MAPT (0.39) MAPTALDH1A1POLBRAB9ACA12
SCHEMBL7539856 0.76 ABCG2 (0.37) MAPTPOLBRAB9ACA9
SCHEMBL7966269 0.74 LMNA (0.40) MAPTALDH1A1POLBRAB9ACA12

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