SCHEMBL4688565

SCHEMBL4688565

CCOc1cc(NC(=O)O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 3/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
RORC P51449 1/20 0.50
RAB9A P51151 1/20 0.50
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KLK7 P49862 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
POLB P06746 2/20 0.47
KCNMA1 Q12791 1/20 0.46
TRPA1 O75762 1/20 0.45

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
SCHEMBL4683533 0.88 MAPT (0.58) TOP2AALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL7961633 0.87 TDP1 (0.56) ALDH1A1TDP1KMT2AMAPTRORC
SCHEMBL9996831 0.83 MAPT (0.51) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL10777343 0.82 TDP1 (0.55) TDP1KMT2AMEN1GAAMAPT
SCHEMBL4687827 0.81 HTT (0.56) ALDH1A1TDP1KMT2AMEN1GAA
SCHEMBL11045981 0.81 AAK1 (0.49) TOP2AALDH1A1TDP1KMT2AMEN1
SCHEMBL28950493 0.79 KLKB1 (0.56) TOP2AALDH1A1TDP1KMT2AMEN1
SCHEMBL10970594 0.78 TSHR (0.54) ALDH1A1KMT2AMEN1GAA
SCHEMBL4689214 0.78 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL10778116 0.77 TDP1 (0.50) TDP1KMT2AMEN1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed