SCHEMBL21789048

SCHEMBL21789048

COc1ccccc1[C@@H](N)C(=O)N(CC(=O)O)Cc1cccs1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
TSHR P16473 4/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
PKM P14618 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
TRPM8 Q7Z2W7 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
GAA P10253 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
SCHEMBL24002213 0.90 MAPT (0.50) MAPTTSHRPOLBALDH1A1NPSR1
SCHEMBL24002418 0.87 MAPT (0.51) MAPTTSHRPOLBALDH1A1NPSR1
SCHEMBL21789053 0.86 POLB (0.46) MAPTTSHRPOLBALDH1A1NPSR1
SCHEMBL21789056 0.86 POLB (0.46) MAPTTSHRPOLBALDH1A1NPSR1
SCHEMBL21789051 0.86 POLB (0.46) MAPTTSHRPOLBALDH1A1NPSR1
SCHEMBL21789268 0.80 PPARG (0.47) MAPTTSHRPOLBALDH1A1NPSR1
SCHEMBL21789058 0.80 PPARG (0.47) MAPTTSHRPOLBALDH1A1NPSR1
SCHEMBL21789284 0.80 PPARG (0.47) MAPTTSHRPOLBALDH1A1NPSR1
SCHEMBL21777358 0.79 MAPT (0.47) MAPTTSHRPOLBALDH1A1NPSR1
SCHEMBL21777359 0.79 MAPT (0.47) MAPTTSHRPOLBALDH1A1NPSR1

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-2020047251-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-03-05 WO disclosed