SCHEMBL4037893

SCHEMBL4037893

CC(C)(CCCOc1ccc(-c2ccc(CBr)cc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 14/20 0.62
PPARG P37231 2/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C8 P10632 1/20 0.46
CHRM1 P11229 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CISD1 Q9NZ45 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
PPARD Q03181 1/20 0.43

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
SCHEMBL11094600 0.90 PPARA (0.74) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL4033371 0.87 PPARA (0.54) PPARA
SCHEMBL3483937 0.86 PPARA (0.46) PPARAPPARGTSHRPPARD
SCHEMBL11097170 0.85 PPARA (0.81) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8057272 0.84 PPARA (0.63) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL4036598 0.84 PPARA (0.77) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL4035649 0.81 PPARA (0.49) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL11093079 0.80 PPARA (0.73) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL8050263 0.80 PPARA (0.65) PPARAPPARGTTRCYP1A2CYP2C8
SCHEMBL10685541 0.79 PPARA (0.83) PPARAPPARGTTRCYP1A2CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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