SCHEMBL8550801

SCHEMBL8550801

CCOC(=O)CCC(Oc1cc(OCc2ccccc2)ccc1/C=C/C(=O)OC)c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.47
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
APP P05067 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7908552 0.92 HDAC8 (0.50) HDAC8
SCHEMBL7908555 0.92 HDAC8 (0.50) HDAC8
SCHEMBL7908558 0.92 HDAC8 (0.50) HDAC8
SCHEMBL8545395 0.88 PPARG (0.47) PPARGPPARDPPARA
SCHEMBL8551521 0.86 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL8550803 0.84 HDAC8 (0.48) HDAC8PPARGPPARDPPARAAPP
SCHEMBL7901055 0.84 PTGER3 (0.48)
SCHEMBL7901047 0.84 PTGER3 (0.48)
SCHEMBL7901052 0.84 PTGER3 (0.48)
Water SCHEMBL7910904 0.83 PTGER3 (0.47)

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-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed