SCHEMBL3845467

SCHEMBL3845467

CC(C)(Oc1ccc(CCO)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 1.00
PPARG P37231 12/20 0.75
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
PPARD Q03181 7/20 0.57
ALDH1A1 P00352 1/20 0.56
FABP2 P12104 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ADRB3 P13945 1/20 0.54

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
SCHEMBL3839840 0.90 PPARA (1.00) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL3849777 0.89 PPARA (0.91) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL9996916 0.86 PPARG (1.00) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL4042833 0.85 PPARA (0.73) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL1009896 0.85 PPARA (0.73) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL2558984 0.83 PPARA (0.71) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL10289687 0.82 PPARG (0.74) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL4575444 0.82 PPARA (0.75) PPARAPPARGMEN1CYP1A2CYP3A4
SCHEMBL3341525 0.81 PPARA (0.68) PPARAPPARGCYP1A2CYP3A4
SCHEMBL3840661 0.81 PPARG (0.71) PPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed
EP-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed
EP-0621255-B1 Substituted phenoxy-isobutyric acids and esters ADIR (FR) 1997-08-20 EP disclosed
EP-0621255-A1 Substituted phenoxy-isobutyric acids and esters ADIR ET COMPAGNIE (FR) 1994-10-26 EP disclosed