SCHEMBL23933820

SCHEMBL23933820

CCCO[C@@H](Cc1ccccc1)C(=O)NC/C=C/CN

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 3/20 0.43
MAPT P10636 1/20 0.42
HDAC2 Q92769 1/20 0.41
PPARG P37231 6/20 0.40
PPARA Q07869 6/20 0.40
PSMB5 P28074 1/20 0.39
MMP8 P22894 1/20 0.38
POLB P06746 1/20 0.38
PSAT1 Q9Y617 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
SCHEMBL23933824 1.00 SRR (0.43) SRRMAPTHDAC2PPARGPPARA
SCHEMBL23933823 1.00 SRR (0.43) SRRMAPTHDAC2PPARGPPARA
SCHEMBL23933826 0.90 SRR (0.46) SRRPPARGPPARAMMP8
SCHEMBL23933829 0.90 SRR (0.46) SRRPPARGPPARAMMP8
SCHEMBL23933832 0.90 SRR (0.46) SRRPPARGPPARAMMP8
SCHEMBL23933870 0.85 SRR (0.50) SRRPPARGPPARAPSAT1
SCHEMBL23933769 0.85 SRR (0.50) SRRPPARGPPARAPSAT1
SCHEMBL23933767 0.85 SRR (0.50) SRRPPARGPPARAPSAT1
SCHEMBL23933763 0.85 SRR (0.50) SRRPPARGPPARAPSAT1
SCHEMBL23933802 0.84 SRR (0.43) SRRPSMB5PSAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO claimed
WO-2021217041-A1 N-SUBSTITUTED ALPHA-AMINO AND ALPHA-HYDROXY CARBOXAMIDE DERIVATIVES IMMVENTION THERAPEUTIX (US) 2021-10-28 WO disclosed