SCHEMBL22152166

SCHEMBL22152166

CCc1ccc2[nH]c(=O)n(C(C)C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.57
POLB P06746 2/20 0.57
MAOB P27338 1/20 0.53
B3GNT2 Q9NY97 4/20 0.44

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
SCHEMBL20529396 0.86 PGR (0.56) PGRPOLBMAOBB3GNT2
SCHEMBL22419394 0.79 MAOB (0.57) PGRPOLBMAOBB3GNT2
SCHEMBL17807767 0.79 MAOB (0.68) PGRPOLBMAOBB3GNT2
SCHEMBL2975327 0.79 POLB (0.62) PGRPOLBMAOBB3GNT2
SCHEMBL12727792 0.79 MAOB (0.55) PGRMAOB
SCHEMBL20987129 0.78 PGR (0.60) PGRPOLBMAOBB3GNT2
SCHEMBL2968866 0.78 PGR (0.72) PGRPOLBMAOBB3GNT2
SCHEMBL29464129 0.78 PGR (0.78) PGRPOLBMAOBB3GNT2
SCHEMBL29414802 0.78 PGR (0.60) PGRPOLBMAOBB3GNT2
SCHEMBL2970468 0.78 PGR (0.78) PGRPOLBMAOBB3GNT2

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-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed