SCHEMBL7183447

SCHEMBL7183447

CCOc1cc(C(CC(=O)O)c2ccccc2)ccc1OC

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.64
PDE4B Q07343 6/20 0.64
PDE4C Q08493 6/20 0.64
PDE4D Q08499 6/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
FFAR1 O14842 1/20 0.53
POLB P06746 2/20 0.52
TNF P01375 2/20 0.51
KMT2A Q03164 2/20 0.51
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL29174154 0.90 TNF (0.60) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL29883153 0.90 TNF (0.60) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4825769 0.90 PDE4D (0.64) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7172764 0.88 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4823187 0.85 LMNA (0.55) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4822401 0.85 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL9115691 0.84 TNF (0.58) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL27684145 0.83 LMNA (0.54) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL2989854 0.82 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL21494493 0.82 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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
EP-0918746-B1 IMMUNOTHERAPEUTIC AGENTS AND THEIR USE IN THE REDUCTION OF CYTOKINE LEVELS CELGENE CORP (US) 2003-04-09 EP claimed