SCHEMBL11748337

SCHEMBL11748337

CC(Br)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.49
PPARA Q07869 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.43
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
CCR6 P51684 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL178468 0.85 ALDH1A1 (0.53) PPARGPPARANPSR1HTR2AHTR2C
SCHEMBL11291464 0.81 PPARG (0.49) PPARGPPARANPSR1HTR2AHTR2C
SCHEMBL17911612 0.80 MTNR1A (0.40) NPSR1KDM4EL3MBTL1ALDH1A1GAA
SCHEMBL30605888 0.79 NPSR1 (0.57) PPARGPPARANPSR1KDM4EL3MBTL1
SCHEMBL16414897 0.79 PPARG (0.50) PPARGPPARANPSR1HTR2AHTR2C
SCHEMBL20819554 0.79 EDNRB (0.35) PPARGPPARAMAPTCYP2C19
SCHEMBL3720175 0.79 HDAC8 (0.41) ALDH1A1GAAMAPT
SCHEMBL24342044 0.78 PPARG (0.52) PPARGPPARANPSR1HTR2AHTR2C
SCHEMBL14227150 0.78 PPARG (0.46) PPARGPPARANPSR1HTR2AHTR2C
SCHEMBL6550208 0.78 PPARG (0.59) PPARGPPARANPSR1KDM4EALDH1A1

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-4027028-A HYPOTENSIVE AGENTS SCIENCE UNION ET CIE (FR) 1977-05-31 US disclosed