SCHEMBL4460094

SCHEMBL4460094

CCC(CCOc1cc2c(cc1Br)CCC2=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
HTR1B P28222 1/20 0.34
KDM4E B2RXH2 4/20 0.33
PPARA Q07869 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARD Q03181 1/20 0.32
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.32
GAA P10253 1/20 0.32
PPARG P37231 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MTNR1A P48039 1/20 0.31

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
SCHEMBL4447366 0.86 BRD4 (0.36) BRD4PPARATDP1PPARDPPARG
SCHEMBL4460417 0.81 PPARG (0.39) PPARAPPARDPPARG
SCHEMBL4458624 0.79 PPARA (0.44) PPARAPPARDPPARG
SCHEMBL30701777 0.77 HTR2A (0.43) BRD4MEN1KMT2ATDP1L3MBTL1
SCHEMBL27029704 0.77 HTR2A (0.43) BRD4MEN1KMT2ATDP1L3MBTL1
SCHEMBL4460099 0.75 BRD4 (0.64) BRD4KDM4EKMT2AALDH1A1GAA
SCHEMBL4460104 0.74 BRD4 (0.34) BRD4PPARAPPARDTHRBPPARG
SCHEMBL7974209 0.74 ABCB1 (0.46) KDM4EPPARAHTTPPARDALDH1A1
SCHEMBL10738573 0.73 RAB9A (0.48) KDM4EMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL21052075 0.72 MAOB (0.54) PPARDPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482484-B2 Carboxylic acids and derivatives for the treatment of and preventing diabetes and dyslipidaemia MERCK PATENT GMBH (DE) 2009-01-27 US disclosed