SCHEMBL25060005

SCHEMBL25060005

COc1cc(C)c2c(c1)CCC(C)(CC/C=C(\C)CC/C=C(\C)C(=O)O)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 1.00
PPARG P37231 4/20 1.00
ALOX5 P09917 13/20 0.78
NR1I2 O75469 2/20 0.78
PTGES O14684 1/20 0.65

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
SCHEMBL16562606 1.00 PPARA (1.00) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL30388206 1.00 PPARA (1.00) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL16077002 0.89 PPARA (0.81) PPARAPPARGALOX5NR1I2PTGES
Polycerasoidol SCHEMBL31707526 0.88 ALOX5 (1.00) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL16552981 0.88 ALOX5 (1.00) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL30392126 0.88 ALOX5 (1.00) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL29377998 0.88 ALOX5 (1.00) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL16552980 0.88 ALOX5 (1.00) PPARAPPARGALOX5NR1I2PTGES
Polycerasoidol SCHEMBL22610013 0.88 ALOX5 (1.00) PPARAPPARGALOX5NR1I2PTGES
SCHEMBL16583083 0.82 PPARA (0.70) PPARAPPARGALOX5NR1I2PTGES

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-3733658-B1 PRENYLATED BENZOPYRANES AS PPAR AGONISTS UNIV VALENCIA (ES) 2023-02-22 EP disclosed