SCHEMBL9848801

SCHEMBL9848801

CC(C)(C)OC(=O)N[C@@H](CO)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
ALOX5 P09917 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.47
CYP26A1 O43174 1/20 0.47
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
ADRB2 P07550 2/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
NR3C2 P08235 1/20 0.42

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
SCHEMBL9848797 1.00 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL9848805 1.00 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL31226878 1.00 MAPT (0.54) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL666435 0.91 MAPT (0.49) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL6676599 0.91 MAPT (0.51) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL28706418 0.89 MAPT (0.53) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL27848522 0.89 MAPT (0.50) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL665500 0.89 MAPT (0.47) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL1374453 0.88 CYP26A1 (0.60) MAPTSMN1; SMN2ALOX5NPC1RAB9A
SCHEMBL16199337 0.88 CYP26A1 (0.60) MAPTSMN1; SMN2ALOX5NPC1RAB9A

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
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed