SCHEMBL8923974

SCHEMBL8923974

CC(C)(Oc1ccc(OCCOc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.52
PPARA Q07869 16/20 0.52
PPARD Q03181 11/20 0.52
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8924029 0.90 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL8923846 0.86 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL8767310 0.86 PPARA (0.47) PPARGPPARAPPARD
SCHEMBL9517990 0.83 CA2 (0.55) PPARGPPARAMEN1CYP1A2CYP3A4
Tert-Butylamine SCHEMBL8924062 0.83 PPARA (0.45) PPARGPPARAPPARD
SCHEMBL8768079 0.82 PPARG (0.46) PPARGPPARAPPARDMEN1CYP1A2
SCHEMBL8923395 0.82 ADRB3 (0.45) PPARGPPARAPPARDMEN1CYP1A2
SCHEMBL8923401 0.82 ADRB3 (0.45) PPARGPPARAPPARDMEN1CYP1A2
SCHEMBL8922791 0.81 PPARA (0.45) PPARGPPARAPPARDMEN1CYP1A2
Tert-Butylamine SCHEMBL8924048 0.81 PPARG (0.43) PPARGPPARAPPARDMEN1CYP1A2

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
US-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed