SCHEMBL5570207

SCHEMBL5570207

Cc1c(C(=O)O)[nH]c2ccc(-c3ccc(C(F)(F)F)cn3)c(-c3ccc(OC(C)C)cc3)c12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.36
BRD4 O60885 1/20 0.36
PPARD Q03181 1/20 0.36
DGAT1 O75907 5/20 0.35
MCHR1 Q99705 1/20 0.35
PTPN5 P54829 1/20 0.35
MCL1 Q07820 3/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
DHODH Q02127 1/20 0.35
CYP1A2 P05177 1/20 0.34
ROCK1 Q13464 1/20 0.34
MYLK4 Q86YV6 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
GCK P35557 1/20 0.33

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
SCHEMBL5573431 0.91 MCHR1 (0.37) GPR35PPARDDGAT1MCHR1PTPN5
SCHEMBL5574783 0.90 KDM4E (0.44) BRD4PPARDDGAT1MCHR1KDM4E
SCHEMBL5509633 0.88 DGAT1 (0.35) GPR35PPARDDGAT1MCHR1PTPN5
SCHEMBL5509248 0.87 MCL1 (0.40) GPR35PPARDDGAT1MCL1KDM4E
SCHEMBL5502186 0.85 PTPN11 (0.39) GPR35PPARDDGAT1MCHR1PTPN5
SCHEMBL5267329 0.85 MCHR1 (0.35) BRD4PPARDDGAT1MCHR1PTPN5
SCHEMBL5272120 0.84 MCHR1 (0.34) BRD4PPARDDGAT1MCHR1PTPN5
SCHEMBL5506955 0.84 KMT2A (0.39) BRD4PPARDMCHR1PTPN5MCL1
SCHEMBL5571405 0.84 KDM4E (0.43) PPARDDGAT1MCHR1KDM4EL3MBTL1
SCHEMBL5571402 0.83 KDM4E (0.43) PPARDMCHR1KDM4EL3MBTL1CYP1A2

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-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed