SCHEMBL4808684

SCHEMBL4808684

CCCOc1cc(C(O)C2=CCC(=O)CC2)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.42
FDPS P14324 3/20 0.39
TNF P01375 1/20 0.39
PDE4B Q07343 8/20 0.39
PDE4D Q08499 6/20 0.39
LMNA P02545 1/20 0.38
SMPD1 P17405 1/20 0.38
PDE4C Q08493 4/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL4808673 0.74 PDE4A (0.46) PDE4AFDPSTNFPDE4BPDE4D
SCHEMBL10080328 0.73 SMPD1 (0.48) PDE4AFDPSPDE4BPDE4DSMPD1
SCHEMBL4818551 0.71 PPARG (0.51) PDE4APDE4BPDE4DLMNAPDE4C
SCHEMBL22420344 0.70 ALOX5 (0.46) PDE4AFDPSPDE4BLMNAPPARG
SCHEMBL11951574 0.70 PDE4A (0.44) PDE4AFDPSTNFPDE4BPDE4D
SCHEMBL4808664 0.69 PDE4A (0.43) PDE4AFDPSTNFPDE4BPDE4D
SCHEMBL14243155 0.68 FDPS (0.55) FDPSLMNAPPARGPPARDPPARA
SCHEMBL462345 0.68 FDPS (0.55) FDPSLMNAHPGDHSD17B10PPARG
SCHEMBL22420254 0.67 ACHE (0.46) FDPSLMNAPPARGPPARDPPARA
SCHEMBL7333971 0.67 SMPD1 (0.50) PDE4AFDPSPDE4BPDE4DSMPD1

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-2008124878-A1 NON-STEROIDAL COMPOUNDS CRYPTOPHARMA PTY LTD (AU) 2008-10-23 WO disclosed