SCHEMBL7969007

SCHEMBL7969007

Cc1ccc(-c2ccc(C3(c4ccc([N+](=O)[O-])cc4)OC(=O)C(O)=C3O)cc2F)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APP P05067 2/20 0.32
DHFR P00374 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
GUSB P08236 1/20 0.31
PIK3CD O00329 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7971836 0.85 APP (0.49) MAPTKMT2AALDH1A1POLBCTDSP1
SCHEMBL7971494 0.82 ALDH1A1 (0.33) MAPTKMT2AF7F3ALDH1A1
SCHEMBL7965276 0.73 HSPB1 (0.40) MAPTKMT2AALDH1A1POLBCTDSP1
SCHEMBL7967042 0.71 PGR (0.36) MAPTKMT2AESR1ESR2ALDH1A1
SCHEMBL7968407 0.71 POLB (0.46) MAPTKMT2AALDH1A1POLBAPP
SCHEMBL7972438 0.69 ESR2 (0.42) MAPTKMT2AESR1ESR2POLB
SCHEMBL7972386 0.69 MAPT (0.40) MAPTKMT2AALDH1A1POLBMEN1
SCHEMBL7968467 0.69 MAPT (0.39) MAPTKMT2AALDH1A1POLBCA12
SCHEMBL7539856 0.69 ABCG2 (0.37) MAPTPOLBCA9
SCHEMBL7966269 0.67 LMNA (0.40) MAPTALDH1A1POLBCA12CA9

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