SCHEMBL7969090

SCHEMBL7969090

O=C1OC(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)(C2CCCCC2)C(O)=C1O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
PGR P06401 1/20 0.36
EPHX1 P07099 2/20 0.36
AR P10275 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 3/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7956141 0.83 HSD11B1 (0.37)
SCHEMBL7968407 0.73 POLB (0.46) ARMAPTMEN1ALDH1A1KMT2A
SCHEMBL7965276 0.71 HSPB1 (0.40) ARMAPTMEN1ALDH1A1KMT2A
SCHEMBL6026229 0.71 ADK (0.39) ARMAPTALDH1A1POLBMAPK1
SCHEMBL6932241 0.70 PTGER3 (0.36) PGRARALDH1A1
SCHEMBL7968980 0.69 PTGER3 (0.35) MEN1KMT2AGAA
SCHEMBL7968467 0.68 MAPT (0.39) ARMAPTMEN1ALDH1A1KMT2A
SCHEMBL7539856 0.68 ABCG2 (0.37) MAPTPOLBMAPK1
SCHEMBL6934430 0.68 AKR1C2 (0.36) MEN1KMT2A
SCHEMBL7966269 0.65 LMNA (0.40) MAPTALDH1A1POLBLMNA

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