SCHEMBL5573431

SCHEMBL5573431

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
GPR35 Q9HC97 1/20 0.36
MCL1 Q07820 3/20 0.36
PTPN5 P54829 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CYP1A2 P05177 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PPARD Q03181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
DGAT1 O75907 4/20 0.34
GCK P35557 1/20 0.33
SCN9A Q15858 1/20 0.33
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 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
SCHEMBL5509633 0.93 DGAT1 (0.35) MCHR1GPR35MCL1PTPN5ALOX5AP
SCHEMBL5570207 0.91 GPR35 (0.36) MCHR1GPR35MCL1PTPN5ALOX5AP
SCHEMBL5571405 0.89 KDM4E (0.43) MCHR1CYP1A2PPARDDGAT1GCK
SCHEMBL5502186 0.85 PTPN11 (0.39) MCHR1GPR35PTPN5ALOX5APFEN1
SCHEMBL5509248 0.85 MCL1 (0.40) GPR35MCL1FFAR4PPARDDGAT1
SCHEMBL5267329 0.85 MCHR1 (0.35) MCHR1PTPN5CYP1A2FFAR4PPARD
SCHEMBL5272120 0.84 MCHR1 (0.34) MCHR1PTPN5CYP1A2PPARDCYP3A4
SCHEMBL5506955 0.84 KMT2A (0.39) MCHR1MCL1PTPN5ALOX5APFEN1
SCHEMBL5574783 0.83 KDM4E (0.44) MCHR1CYP1A2PPARDDGAT1GCK
SCHEMBL5574008 0.83 MCHR1 (0.34) MCHR1GPR35MCL1PPARDDGAT1

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