SCHEMBL4356079

SCHEMBL4356079

N[C@H](CNC(=O)O)Cc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
ALOX5 P09917 1/20 0.44
TDP1 Q9NUW8 4/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
EPHX2 P34913 2/20 0.42
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.42
ESR2 Q92731 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4356081 1.00 MMP2 (0.44) MMP2SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL13821332 0.79 CTSS (0.56) SLC1A3SLC1A2SLC1A1TDP1HSD17B10
SCHEMBL2029903 0.79 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ALOX5TDP1
SCHEMBL2029905 0.79 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ALOX5TDP1
SCHEMBL2035900 0.79 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ALOX5TDP1
SCHEMBL3319872 0.75 ALOX5 (0.44) SLC1A3SLC1A2SLC1A1ALOX5TDP1
SCHEMBL180118 0.75 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1ALOX5TDP1
SCHEMBL218877 0.75 MMP2 (0.73) MMP2PKM
SCHEMBL1663153 0.75 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1ALOX5TDP1
SCHEMBL599915 0.75 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1ALOX5TDP1

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-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed