SCHEMBL30477285

SCHEMBL30477285

CC[C@@H](C(=O)NC(CC(=O)O)C(=O)CF)N1Cc2ccc(-c3ccc4c(c3)OCCO4)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 6/20 0.41
SDC2 P34741 6/20 0.41
CASP1 P29466 2/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP8 Q14790 1/20 0.40
MAPK1 P28482 9/20 0.39
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
CTSA P10619 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL25330548 1.00 SDCBP (0.41) SDCBPSDC2CASP1CASP3CASP7
SCHEMBL25330545 1.00 SDCBP (0.41) SDCBPSDC2CASP1CASP3CASP7
SCHEMBL25330876 0.93 CASP1 (0.40) SDCBPSDC2CASP1CASP3CASP7
SCHEMBL30477276 0.93 CASP1 (0.40) SDCBPSDC2CASP1CASP3CASP7
SCHEMBL25330880 0.93 CASP1 (0.40) SDCBPSDC2CASP1CASP3CASP7
SCHEMBL30477298 0.90 MAPK1 (0.39) SDCBPSDC2MAPK1
SCHEMBL25331706 0.89 SDCBP (0.50) SDCBPSDC2CASP3CASP7CASP8
SCHEMBL30477296 0.89 SDCBP (0.50) SDCBPSDC2CASP3CASP7CASP8
SCHEMBL25330941 0.89 SDCBP (0.42) SDCBPSDC2CASP3CASP7CASP8
SCHEMBL25330937 0.89 SDCBP (0.42) SDCBPSDC2CASP3CASP7CASP8

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
EP-4461726-A1 NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS Innovo Therapeutics Inc. (KR) 2024-11-13 EP claimed
WO-2023132606-A1 NOVEL ISOINDOLINONE DERIVATIVE COMPOUNDS AS CASPASE INHIBITORS 주식회사 이노보테라퓨틱스 2023-07-13 WO disclosed