SCHEMBL11069356

SCHEMBL11069356

Cc1cc(C(=O)C(C)C)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.62
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.43
TTR P02766 2/20 0.42
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
RARB P10826 1/20 0.42
COMT P21964 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADORA1 P30542 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
SCHEMBL4132017 0.81 GPR35 (0.69) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL8977819 0.81 GPR35 (0.69) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL31392530 0.81 GPR35 (0.69) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL322531 0.78 GPR35 (1.00) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL11065981 0.77 GPR35 (0.62) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL11067071 0.77 GPR35 (0.62) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL11074065 0.77 GPR35 (0.62) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL28817836 0.77 GPR35 (0.95) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL27809236 0.76 GPR35 (0.61) GPR35ALDH1A1MAPTMEN1KMT2A
SCHEMBL14896224 0.75 GPR35 (0.58) GPR35ALDH1A1MAPTMEN1KMT2A

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-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 US disclosed