SCHEMBL4032659

SCHEMBL4032659

Cc1onc(-c2ccc(CO)cc2)c1NC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 3/20 0.47
NTRK1 P04629 2/20 0.46
MAPT P10636 3/20 0.45
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GHSR Q92847 1/20 0.39

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
SCHEMBL4037282 0.85 MAPT (0.52) NPSR1ALDH1A1NTRK1MAPTTSHR
SCHEMBL4029460 0.83 NPSR1 (0.61) NPSR1ALDH1A1NTRK1MAPTTSHR
SCHEMBL9903838 0.82 NPSR1 (0.48) NPSR1ALDH1A1NTRK1MAPTTSHR
SCHEMBL4028725 0.82 MAPT (0.49) NPSR1ALDH1A1NTRK1MAPTTSHR
SCHEMBL8477483 0.79 ALDH1A1 (0.53) NPSR1ALDH1A1TSHRHTTKMT2A
SCHEMBL9903324 0.79 NPSR1 (0.44) NPSR1ALDH1A1NTRK1MAPTTSHR
SCHEMBL9903605 0.78 NPSR1 (0.43) NPSR1ALDH1A1NTRK1MAPTTSHR
SCHEMBL4030815 0.78 KMT2A (0.54) NPSR1ALDH1A1NTRK1MAPTTSHR
SCHEMBL4036524 0.76 NTRK1 (0.56) NPSR1NTRK1MAPTKMT2AMEN1
SCHEMBL4029125 0.75 LPAR1 (0.60) NPSR1

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-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed