SCHEMBL7965276

SCHEMBL7965276

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MDM2 Q00987 1/20 0.39
POLB P06746 3/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
AR P10275 1/20 0.36
APP P05067 1/20 0.36
NR3C2 P08235 1/20 0.35
NOTUM Q6P988 1/20 0.35
MEN1 O00255 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
SCHEMBL7539856 0.86 ABCG2 (0.37) RAB9APOLBMAPK1MAPT
SCHEMBL7968467 0.84 MAPT (0.39) NPC1RAB9APOLBMAPK1ALDH1A1
SCHEMBL7956413 0.84 CFTR (0.39) ALDH1A1MAPTSMN1; SMN2MEN1LMNA
SCHEMBL7971836 0.79 APP (0.49) NPC1RAB9APOLBALDH1A1MAPT
SCHEMBL6932670 0.77 MDM2 (0.38) NPC1RAB9AMDM2POLBALDH1A1
SCHEMBL7966269 0.77 LMNA (0.40) NPC1RAB9AMDM2POLBALDH1A1
SCHEMBL6932932 0.76 MDM2 (0.38) NPC1RAB9AMDM2ALDH1A1MAPT
SCHEMBL6026229 0.74 ADK (0.39) POLBMAPK1ALDH1A1MAPTAR
SCHEMBL6932601 0.74 CFTR (0.43) POLBALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7971494 0.74 ALDH1A1 (0.33) MDM2MAPK1ALDH1A1MAPTHTT

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