SCHEMBL5509633

SCHEMBL5509633

CC(C)Oc1ccc(-c2c(-c3ccc(C(F)(F)F)cn3)ccc3[nH]c(C(=O)O)c(C(C)(C)C(=O)O)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.35
GPR35 Q9HC97 1/20 0.34
MCHR1 Q99705 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PTPN5 P54829 1/20 0.33
PPARD Q03181 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP1A2 P05177 1/20 0.33
APP P05067 1/20 0.32

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 0.93 MCHR1 (0.37) DGAT1GPR35MCHR1ALOX5APFEN1
SCHEMBL5570207 0.88 GPR35 (0.36) DGAT1GPR35MCHR1ALOX5APFEN1
SCHEMBL5571405 0.83 KDM4E (0.43) DGAT1MCHR1PPARDCYP1A2
SCHEMBL5502186 0.83 PTPN11 (0.39) DGAT1GPR35MCHR1ALOX5APFEN1
SCHEMBL5509248 0.83 MCL1 (0.40) DGAT1GPR35PPARDMCL1
SCHEMBL5267329 0.82 MCHR1 (0.35) DGAT1MCHR1PTPN5PPARDCYP1A2
SCHEMBL5272120 0.82 MCHR1 (0.34) DGAT1MCHR1PTPN5PPARDCYP1A2
SCHEMBL5506955 0.82 KMT2A (0.39) MCHR1ALOX5APFEN1PTPN5PPARD
SCHEMBL5574783 0.80 KDM4E (0.44) DGAT1MCHR1PPARDCYP1A2
SCHEMBL5574008 0.80 MCHR1 (0.34) DGAT1GPR35MCHR1PPARDMCL1

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-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed