SCHEMBL4035381

SCHEMBL4035381

Cc1ccc(-c2cccc(OCCCC(C)(C)C(=O)O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.60
FFAR4 Q5NUL3 2/20 0.58
TTR P02766 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C8 P10632 1/20 0.55
CHRM1 P11229 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
ADRA1A P35348 1/20 0.55
PPARG P37231 1/20 0.55
HTR2B P41595 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SLCO1B3 Q9NPD5 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CISD1 Q9NZ45 1/20 0.55
SLCO1B1 Q9Y6L6 1/20 0.55
LTB4R Q15722 5/20 0.51
SLC13A5 Q86YT5 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 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
SCHEMBL28137761 0.92 PPARA (0.68) PPARAFFAR4TTRCYP1A2CYP2C8
SCHEMBL3483931 0.88 FFAR4 (0.53) PPARAFFAR4TTRCYP1A2CYP2C8
SCHEMBL4033371 0.86 PPARA (0.54) PPARAFFAR4LTB4RSLC13A5HDAC1
SCHEMBL4036598 0.86 PPARA (0.77) PPARAFFAR4TTRCYP1A2CYP2C8
SCHEMBL4037965 0.85 CYP2C9 (0.52) FFAR4CYP1A2CYP2C9SLC13A5HDAC1
SCHEMBL11088495 0.85 PPARA (0.72) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL10685541 0.82 PPARA (0.83) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11096283 0.81 PPARA (0.66) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11094600 0.80 PPARA (0.74) PPARATTRCYP1A2CYP2C8CHRM1
SCHEMBL11097988 0.80 PPARA (0.60) 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