SCHEMBL21789284

SCHEMBL21789284

COC(=O)CCCCOc1ccccc1C(N)C(=O)N(CC(=O)OC)Cc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.47
PPARA Q07869 2/20 0.41
POLB P06746 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
TRPM8 Q7Z2W7 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL21789058 1.00 PPARG (0.47) PPARGPPARAPOLBALDH1A1MAPT
SCHEMBL21789268 1.00 PPARG (0.47) PPARGPPARAPOLBALDH1A1MAPT
SCHEMBL24002213 0.89 MAPT (0.50) POLBALDH1A1MAPTNPSR1TSHR
SCHEMBL21789050 0.87 TRPM8 (0.46) POLBALDH1A1MAPTNPSR1TSHR
SCHEMBL21789056 0.87 POLB (0.46) PPARGPOLBALDH1A1MAPTNPSR1
SCHEMBL21789051 0.87 POLB (0.46) PPARGPOLBALDH1A1MAPTNPSR1
SCHEMBL21789053 0.83 POLB (0.46) POLBALDH1A1MAPTNPSR1TSHR
SCHEMBL21777440 0.83 PPARG (0.42) PPARGPPARAPOLBALDH1A1MAPT
SCHEMBL24002418 0.81 MAPT (0.51) POLBALDH1A1MAPTNPSR1TSHR
SCHEMBL21789048 0.80 MAPT (0.53) POLBALDH1A1MAPTNPSR1TSHR

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