SCHEMBL29975980

SCHEMBL29975980

COc1ccc(Cn2cc(-c3cc(C)nc([S+]([O-])CCC(OCc4ccccc4)c4ccccc4)n3)ccc2=O)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SDHB P21912 15/20 0.45
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL19805749 1.00 SDHB (0.45) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL29976388 0.91 SDHB (0.56) SDHB
SCHEMBL20985723 0.91 SDHB (0.45) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL19805750 0.91 SDHB (0.56) SDHB
SCHEMBL29975701 0.89 SDHB (0.44) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL19805920 0.89 SDHB (0.44) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL29976298 0.89 SDHB (0.42) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL19805932 0.89 SDHB (0.42) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL29976277 0.84 SDHB (0.58) SDHBPDE4APDE4BPDE4CPDE4D
SCHEMBL19805741 0.84 SDHB (0.58) SDHBPDE4APDE4BPDE4CPDE4D

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
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed