SCHEMBL9920813

SCHEMBL9920813

CCOCCN(C)Cc1ccc(/C(=C/COc2ccc(CCC(=O)O)c(C)c2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.43
PPARG P37231 14/20 0.40
PPARA Q07869 13/20 0.40
FFAR1 O14842 2/20 0.39
ATM Q13315 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
SCHEMBL4334801 0.81 PPARD (0.61) PPARDPPARGPPARAFFAR1
SCHEMBL4334798 0.81 PPARD (0.61) PPARDPPARGPPARAFFAR1
SCHEMBL4325528 0.81 PPARD (0.47) PPARDPPARGPPARAFFAR1
SCHEMBL12159999 0.77 PPARD (0.50) PPARDPPARGPPARA
SCHEMBL9921098 0.77 POLB (0.46) PPARD
SCHEMBL12160165 0.77 POLB (0.46) PPARD
SCHEMBL14495856 0.76 PPARD (0.44) PPARDPPARGPPARAFFAR1
SCHEMBL12160118 0.73 PPARD (0.54) PPARDPPARGPPARA
SCHEMBL6474183 0.73 PPARD (0.77) PPARDPPARGPPARAFFAR1
SCHEMBL1745143 0.70 KDM4E (0.46) PPARDPPARGPPARA

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-1979311-B1 PHENOXY ACETIC ACIDS AS PPAR DELTA ACTIVATORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-06-13 EP disclosed