SCHEMBL4808664

SCHEMBL4808664

CCCOc1cc(C(O)C2C=CC(=O)CC2)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.43
PDE4B Q07343 9/20 0.41
FDPS P14324 3/20 0.40
PDE4D Q08499 6/20 0.40
PDE4C Q08493 3/20 0.40
TNF P01375 1/20 0.38
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL661554 0.83 KMT2A (0.41) PDE4APDE4BPDE4DPDE4CHPGD
SCHEMBL4808673 0.80 PDE4A (0.46) PDE4APDE4BFDPSPDE4DPDE4C
SCHEMBL4808684 0.69 PDE4A (0.42) PDE4APDE4BFDPSPDE4DPDE4C
SCHEMBL11951574 0.68 PDE4A (0.44) PDE4APDE4BFDPSPDE4DTNF
SCHEMBL462345 0.66 FDPS (0.55) FDPSLMNATP53HPGDHSD17B10
SCHEMBL10080328 0.66 SMPD1 (0.48) PDE4APDE4BFDPSPDE4DPDE4C
SCHEMBL7333971 0.65 SMPD1 (0.50) PDE4APDE4BFDPSPDE4DPDE4C
SCHEMBL2999857 0.64 PDE4D (0.49) PDE4APDE4BPDE4DPDE4CTNF
SCHEMBL22420344 0.64 ALOX5 (0.46) PDE4APDE4BFDPSLMNA
SCHEMBL16955884 0.64 FDPS (0.48) FDPSTP53HPGDHSD17B10

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