SCHEMBL8006017

SCHEMBL8006017

Bc1cc(C=O)cc(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
KDM4E B2RXH2 2/20 0.44
XDH P47989 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ERN1 O75460 3/20 0.40

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
SCHEMBL3000000 0.87 ALDH1A1 (0.64) ALDH1A1CA12CA1CA2CA7
SCHEMBL24609716 0.87 ALDH1A1 (0.64) ALDH1A1CA12CA1CA2CA7
SCHEMBL8008793 0.82 CA1 (0.58) ALDH1A1CA12CA1CA2CA7
SCHEMBL7010309 0.81 CA12 (0.70) ALDH1A1CA12CA1CA2CA7
SCHEMBL13898758 0.80 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL2160967 0.80 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL14577650 0.80 ALDH1A1 (0.56) ALDH1A1CA12CA1CA2CA7
SCHEMBL23803847 0.79 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL3365862 0.79 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7
SCHEMBL3507331 0.79 ALDH1A1 (0.55) ALDH1A1CA12CA1CA2CA7

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
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO disclosed