SCHEMBL30477296

SCHEMBL30477296

CCC(C(=O)NC(CC(=O)O)C(=O)CF)N1Cc2ccc(-c3ccccc3)cc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 12/20 0.50
SDC2 P34741 12/20 0.50
MAPK1 P28482 2/20 0.44
CASP3 P42574 3/20 0.41
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40

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
SCHEMBL25331706 1.00 SDCBP (0.50) SDCBPSDC2MAPK1CASP3CASP7
SCHEMBL30477326 0.94 SDCBP (0.44) SDCBPSDC2MAPK1
SCHEMBL25330616 0.94 SDCBP (0.44) SDCBPSDC2MAPK1
SCHEMBL30477325 0.93 SDCBP (0.44) SDCBPSDC2MAPK1
SCHEMBL25330658 0.92 SDCBP (0.43) SDCBPSDC2MAPK1CASP3
SCHEMBL31474740 0.92 SDCBP (0.43) SDCBPSDC2MAPK1CASP3
SCHEMBL31122091 0.91 SDCBP (0.44) SDCBPSDC2MAPK1CASP3
SCHEMBL25329776 0.91 SDCBP (0.42) SDCBPSDC2MAPK1CASP3
SCHEMBL30477286 0.91 SDCBP (0.42) SDCBPSDC2MAPK1CASP3
SCHEMBL25333877 0.90 SDCBP (0.43) SDCBPSDC2MAPK1CASP3

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-2023132606-A1 NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS 주식회사 이노보테라퓨틱스 2023-07-13 WO disclosed