SCHEMBL28993333

SCHEMBL28993333

COC(=O)c1ccc(CS(C)(=O)=O)c(OCC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.43
PDE4A P27815 5/20 0.43
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR4 Q13639 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL30362004 0.88 MAP4K4 (0.45) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL28993335 0.88 MAP4K4 (0.45) PDE4BPDE4APDE4CPDE4DPARP15
SCHEMBL15754411 0.86 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL15786277 0.85 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL28993331 0.84 PDE4B (0.37) PDE4BPDE4APDE4CPDE4DHTR4
SCHEMBL15754600 0.84 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL28033753 0.82 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL2762621 0.81 HTR4 (0.52) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL2762046 0.81 CYP19A1 (0.55) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL2090601 0.79 PDE4B (0.60) PDE4BPDE4APDE4CPDE4DMAPT

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-110698459-B 1-phenyl-2-pyridylalkyl alcohol derivatives as phosphodiesterase inhibitors 奇斯药制品公司 2023-05-05 CN disclosed