SCHEMBL23933802

SCHEMBL23933802

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 4/20 0.43
MMP2 P08253 5/20 0.40
PSMB5 P28074 1/20 0.38
PSAT1 Q9Y617 2/20 0.36
CTRB1 P17538 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL23933805 1.00 SRR (0.43) SRRMMP2PSMB5PSAT1CTRB1
SCHEMBL23933808 0.87 SRR (0.43) SRRMMP2PSMB5PSAT1
SCHEMBL23933814 0.87 SRR (0.43) SRRMMP2PSMB5PSAT1
SCHEMBL23933811 0.87 SRR (0.43) SRRMMP2PSMB5PSAT1
SCHEMBL23933832 0.86 SRR (0.46) SRR
SCHEMBL23933826 0.86 SRR (0.46) SRR
SCHEMBL23933829 0.86 SRR (0.46) SRR
SCHEMBL23933823 0.84 SRR (0.43) SRRPSMB5PSAT1
SCHEMBL23933769 0.84 SRR (0.50) SRRMMP2PSAT1CYP3A4TSHR
SCHEMBL23933767 0.84 SRR (0.50) SRRMMP2PSAT1CYP3A4TSHR

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