SCHEMBL4036598

SCHEMBL4036598

Cc1ccc(-c2ccc(OCCCC(C)(C)C(=O)O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.77
TTR P02766 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C8 P10632 1/20 0.59
CHRM1 P11229 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
ADRA1A P35348 1/20 0.59
PPARG P37231 1/20 0.59
HTR2B P41595 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SLCO1B3 Q9NPD5 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CISD1 Q9NZ45 1/20 0.59
SLCO1B1 Q9Y6L6 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.53
LTB4R Q15722 1/20 0.51
FFAR4 Q5NUL3 1/20 0.49
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46

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
SCHEMBL10685541 0.95 PPARA (0.83) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11094600 0.94 PPARA (0.74) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11097170 0.89 PPARA (0.81) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL4035381 0.86 PPARA (0.60) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL3485000 0.85 PPARA (0.58) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11097988 0.84 PPARA (0.60) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL4037893 0.84 PPARA (0.62) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11093079 0.84 PPARA (0.73) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL10641392 0.82 PPARA (0.88) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL10683274 0.81 PPARA (0.70) PPARATTRCYP1A2CYP2C8CHRM1

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