SCHEMBL21373232

SCHEMBL21373232

Cc1ccc(N[C@@H](Cc2ccccc2)C(=O)O)cc1.O=C(CCl)CCl

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
MMP9 P14780 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
FPR2 P25090 7/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
NPR3 P17342 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL21373234 1.00 PPARG (0.49) PPARGMMP9GAAMAPTL3MBTL1
SCHEMBL7100965 0.92 PPARG (0.55) PPARGMMP9GAAMAPTL3MBTL1
SCHEMBL10692667 0.92 PPARG (0.55) PPARGMMP9GAAMAPTL3MBTL1
SCHEMBL10690468 0.89 PPARG (0.51) PPARGMMP9GAAMAPTL3MBTL1
SCHEMBL10690483 0.89 PPARG (0.51) PPARGMMP9GAAMAPTL3MBTL1
SCHEMBL10690475 0.88 MMP9 (0.48) PPARGMMP9GAAMAPTL3MBTL1
Hydrochloric Acid SCHEMBL1499448 0.87 MMP9 (0.47) PPARGMMP9GAAMAPTL3MBTL1
SCHEMBL4565010 0.86 CTSG (0.50) PPARGMMP9GAAMAPTL3MBTL1
SCHEMBL2957410 0.86 CTSG (0.50) PPARGMMP9GAAMAPTL3MBTL1
SCHEMBL1023659 0.84 GAA (0.47) PPARGMMP9GAAMAPTL3MBTL1

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-3542824-A1 Ras PROTEIN DEGRADATION INDUCING MOLECULE AND PHARMACEUTICAL COMPOSITION Tokyo University of Science Foundation (JP) 2019-09-25 EP disclosed