SCHEMBL5502186

SCHEMBL5502186

CC(C)Oc1ccc(-c2c(-c3ccc(C(F)(F)F)cn3)ccc3[nH]c(C(=O)O)c(-c4cccc(C(=O)O)c4)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.39
GPR35 Q9HC97 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
RXRA P19793 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
RXRB P28702 1/20 0.35
MCHR1 Q99705 1/20 0.35
GCK P35557 1/20 0.35
BTK Q06187 1/20 0.34
PTPN5 P54829 1/20 0.34
ABL1 P00519 1/20 0.33
SCN9A Q15858 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
ALOX5AP P20292 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 0.85 MCHR1 (0.37) GPR35MCHR1GCKPTPN5SCN9A
SCHEMBL5570207 0.85 GPR35 (0.36) GPR35MCHR1GCKPTPN5ALOX5AP
SCHEMBL5509633 0.83 DGAT1 (0.35) GPR35MCHR1PTPN5ALOX5APFEN1
SCHEMBL5506955 0.82 KMT2A (0.39) PTPN11RXRARXRBMCHR1GCK
SCHEMBL5509248 0.80 MCL1 (0.40) GPR35GCKPPARDDGAT1
SCHEMBL5267329 0.80 MCHR1 (0.35) MCHR1PTPN5SCN9APPARDDGAT1
SCHEMBL5272120 0.79 MCHR1 (0.34) MCHR1PTPN5SCN9APPARDDGAT1
SCHEMBL5574783 0.78 KDM4E (0.44) MCHR1GCKPPARDDGAT1
SCHEMBL5574008 0.78 MCHR1 (0.34) GPR35MCHR1GCKSCN9APPARD
SCHEMBL5571405 0.77 KDM4E (0.43) MCHR1GCKPPARDDGAT1

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