SCHEMBL5339470

SCHEMBL5339470

CC(C)Oc1ccc(-c2c(Oc3ccc(C(F)(F)F)cc3)ccc3[nH]c(C(=O)O)c(NC(=O)C(C)(C)C)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.37
SCN8A Q9UQD0 3/20 0.34
SCN10A Q9Y5Y9 3/20 0.34
PTPN5 P54829 1/20 0.34
ROCK1 Q13464 1/20 0.33
MYLK4 Q86YV6 1/20 0.33
PPARD Q03181 1/20 0.33
MAPT P10636 3/20 0.33
CLK1 P49759 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MCL1 Q07820 2/20 0.32
BCL2 P10415 1/20 0.32
MDM2 Q00987 1/20 0.32
BRD4 O60885 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
SCHEMBL5270761 0.92 PPARD (0.33) SCN8ASCN10APPARDMAPTACACB
SCHEMBL5509080 0.81 PTPN5 (0.37) GPR35SCN8ASCN10APTPN5PPARD
SCHEMBL5269766 0.77 TOP2A (0.38) SCN8ASCN10APTPN5PPARDMCL1
SCHEMBL5271483 0.77 RORC (0.36) MAPTKMT2AACACBACACAKDM4E
SCHEMBL5340171 0.76 MAPT (0.38) PTPN5MAPTCLK1KMT2AMCL1
SCHEMBL5266914 0.75 MAPT (0.41) PTPN5PPARDMAPTKMT2AKDM4E
SCHEMBL5271428 0.75 MAPT (0.41) PTPN5PPARDMAPTKMT2AKDM4E
SCHEMBL5270354 0.75 MAPT (0.49) MAPTKMT2A
SCHEMBL5339900 0.75 BRD4 (0.40) KMT2AACACBACACABRD4
SCHEMBL5268151 0.74 MAPT (0.36) SCN8ASCN10APTPN5PPARDMAPT

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-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed