SCHEMBL4035649

SCHEMBL4035649

CC(C)(CCCOc1ccccc1-c1ccc(CBr)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C8 P10632 1/20 0.47
CHRM1 P11229 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
ADRA1A P35348 1/20 0.47
PPARG P37231 1/20 0.47
HTR2B P41595 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CISD1 Q9NZ45 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 3/20 0.45
LTB4R Q15722 4/20 0.45
SLC13A5 Q86YT5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4034269 0.95 LTB4R (0.48) PPARAKDM4EALDH1A1LTB4R
SCHEMBL3484380 0.88 KDM4E (0.45) SMN1; SMN2KDM4EALDH1A1SLC13A5L3MBTL1
SCHEMBL4033345 0.86 PPARA (0.60) PPARASMN1; SMN2TTRCYP1A2CYP2C8
SCHEMBL3484078 0.84 KDM4E (0.45) SMN1; SMN2KDM4EALDH1A1LTB4RSLC13A5
SCHEMBL4035625 0.81 LTB4R (0.61) PPARASMN1; SMN2TTRCYP1A2CYP2C8
SCHEMBL4037893 0.81 PPARA (0.62) PPARASMN1; SMN2TTRCYP1A2CYP2C8
SCHEMBL4035654 0.78 PPARG (0.48) PPARACYP2C9PPARGTDP1KDM4E
SCHEMBL4033371 0.77 PPARA (0.54) PPARALTB4RSLC13A5RXRARXRB
SCHEMBL11090691 0.75 PPARA (0.61) PPARASMN1; SMN2TTRCYP1A2CYP2C8
SCHEMBL28138301 0.75 PPARA (0.57) PPARASMN1; SMN2TTRCYP1A2CYP2C8

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