SCHEMBL25947232

SCHEMBL25947232

CC(=O)/C=C/c1cc(C)c(OC(C)(C)C(=O)O)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.62
PPARD Q03181 13/20 0.62
PPARG P37231 4/20 0.62
KCNH2 Q12809 1/20 0.57
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL11893217 0.83 PPARA (0.63) PPARAPPARDPPARGKCNH2
SCHEMBL4465972 0.83 PPARA (0.63) PPARAPPARDPPARGKCNH2
SCHEMBL4468143 0.82 PPARA (0.65) PPARAPPARDPPARGKCNH2
SCHEMBL11893126 0.82 PPARA (0.65) PPARAPPARDPPARGKCNH2
SCHEMBL11893215 0.81 PPARA (0.67) PPARAPPARDPPARGKCNH2
SCHEMBL11893234 0.81 PPARA (0.67) PPARAPPARDPPARGKCNH2
SCHEMBL4462403 0.81 PPARA (0.67) PPARAPPARDPPARGKCNH2
SCHEMBL4476178 0.81 PPARA (0.67) PPARAPPARDPPARGKCNH2
SCHEMBL13359231 0.81 PPARA (0.78) PPARAPPARDPPARGKCNH2
SCHEMBL5472116 0.81 PPARA (0.53) PPARAPPARDPPARGKCNH2

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-3719010-B1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2023-07-26 EP disclosed