SCHEMBL5266952

SCHEMBL5266952

CCC(=O)OC(C)Cc1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
TSHR P16473 3/20 0.40
RIPK1 Q13546 1/20 0.39
HTT P42858 1/20 0.38
EPHX2 P34913 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ANPEP P15144 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PARP10 Q53GL7 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL6096504 0.84 PPARG (0.43) HPGDPPARGPPARATSHRRIPK1
SCHEMBL21349612 0.83 PPARG (0.43) HPGDPPARGPPARAEPHX2KDM4E
SCHEMBL4965733 0.78 TSHR (0.53) PPARGPPARATSHRTAAR1CTSK
SCHEMBL21348905 0.78 PPARG (0.45) PPARGPPARAEPHX2KDM4EALDH1A1
SCHEMBL27484932 0.76 CTSK (0.50) PPARGPPARATSHRCTSKKDM4E
SCHEMBL28142225 0.75 CA1 (0.46) TAAR1
SCHEMBL27876780 0.74 CYP2C19 (0.46) HPGDTSHRHTTALDH1A1
SCHEMBL2386216 0.74 MAPT (0.46) HPGDPPARGPPARATSHRRIPK1
SCHEMBL28124129 0.73 ALDH1A1 (0.53) HPGDTSHRRIPK1TAAR1KDM4E
SCHEMBL24860325 0.73 PPARG (0.40) HPGDPPARGPPARATSHRRIPK1

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-1742608-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϝ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-01-17 EP disclosed
WO-2005108352-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϜ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 WO disclosed