SCHEMBL8767800

SCHEMBL8767800

CC(C)(Oc1ccc(CSc2cc(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 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.52
PPARG P37231 11/20 0.52
PPARD Q03181 8/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TBXAS1 P24557 1/20 0.42

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
SCHEMBL8768773 0.88 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL8767430 0.86 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL8767310 0.84 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL8923383 0.84 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL8923438 0.83 PPARA (0.44) PPARAPPARGPPARDMEN1CYP1A2
SCHEMBL8496233 0.82 MAPT (0.55) MEN1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL8924650 0.81 ADRB3 (0.43) PPARAPPARGPPARDMEN1CYP1A2
SCHEMBL8924642 0.81 ADRB3 (0.43) PPARAPPARGPPARDMEN1CYP1A2
Tert-Butylamine SCHEMBL8924062 0.81 PPARA (0.45) PPARAPPARGPPARD
SCHEMBL9417705 0.80 ALDH1A1 (0.45) CYP1A2MAPTCYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621255-B1 Substituted phenoxy-isobutyric acids and esters ADIR (FR) 1997-08-20 EP claimed
US-5512595-A FOR SUPPRESSION OF MEMBRANE LIPID PEROXIDATION, ANTILIPEMIC AGENTS ADIR ET COMPAGNIE (FR) 1996-04-30 US claimed
US-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed
US-5512595-A FOR SUPPRESSION OF MEMBRANE LIPID PEROXIDATION, ANTILIPEMIC AGENTS ADIR ET COMPAGNIE (FR) 1996-04-30 US disclosed