SCHEMBL5509080

SCHEMBL5509080

COC(=O)c1[nH]c2ccc(Oc3ccc(C(F)(F)F)cc3)c(-c3ccc(OC(C)C)cc3)c2c1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.37
LMNA P02545 1/20 0.36
SCN9A Q15858 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SCN8A Q9UQD0 4/20 0.35
SCN10A Q9Y5Y9 4/20 0.35
PTPN1 P18031 1/20 0.35
GPR35 Q9HC97 1/20 0.34
PPARD Q03181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
PDE2A O00408 1/20 0.33
MAPK1 P28482 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
SCHEMBL5271428 0.81 MAPT (0.41) PTPN5MAPTKDM4EPTPN1PPARD
SCHEMBL5266914 0.81 MAPT (0.41) PTPN5MAPTKDM4EPTPN1PPARD
SCHEMBL5505257 0.81 ALDH1A1 (0.39) LMNAACACBACACAMAPTKDM4E
SCHEMBL5339470 0.81 GPR35 (0.37) PTPN5ACACBACACAMAPTKDM4E
SCHEMBL5269766 0.79 TOP2A (0.38) PTPN5SCN8ASCN10APPARD
SCHEMBL5270824 0.78 PTPN1 (0.37) PTPN5MAPTKDM4EPTPN1PPARD
SCHEMBL5267628 0.78 PPARD (0.39) MAPTPTPN1PPARD
SCHEMBL5268151 0.76 MAPT (0.36) PTPN5MAPTSCN8ASCN10APPARD
SCHEMBL5508772 0.76 MAPT (0.41) LMNAACACBACACAMAPTKDM4E
SCHEMBL5270354 0.74 MAPT (0.49) LMNAMAPTCYP3A4CYP3A5MAPK1

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