SCHEMBL11079306

SCHEMBL11079306

CSCC[C@H](NC(C)=O)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
GAA P10253 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
HTR2A P28223 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
MGLL Q99685 1/20 0.43
ACHE P22303 1/20 0.42
SLC6A4 P31645 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
SCHEMBL11079312 1.00 MAPT (0.50) MAPTGAAALDH1A1KDM4EGLA
SCHEMBL913460 0.92 GAA (0.47) MAPTGAAALDH1A1CASP1FNTA
SCHEMBL974922 0.87 FNTA (0.52) MAPTGAAALDH1A1FNTAFNTB
SCHEMBL29229939 0.85 EPHX2 (0.51) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL27303322 0.85 EPHX2 (0.51) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL9046932 0.85 EPHX2 (0.51) MAPTGAAALDH1A1KDM4EHPGD
SCHEMBL18095168 0.85 MGLL (0.51) MAPTGAAALDH1A1FNTAFNTB
SCHEMBL18211946 0.84 GAA (0.54) MAPTGAAALDH1A1KDM4EGLA
SCHEMBL27857345 0.83 HDAC1 (0.55) FNTAFNTB
SCHEMBL11085230 0.83 GAA (0.53) MAPTGAAALDH1A1KDM4EGLA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482495-A CHEMICAL INTERMEDIATES FOR ANALGESICS STERLING DRUG INC. (US) 1984-11-13 US disclosed
US-4405800-A ANALGESICS STERLING DRUG INC. (US) 1983-09-20 US disclosed
US-4361703-A ANALGESICS STERLING DRUG INC. (US) 1982-11-30 US disclosed
US-4181719-A Analgesic N-acetyl-para-aminophenyl N'-acetylaminothioalkanoates STERLING DRUG INC. (US) 1980-01-01 US disclosed