SCHEMBL27620195

SCHEMBL27620195

CC(C)(C)OC(=O)C(C(=O)O)C(N)Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
CXCR2 P25025 2/20 0.39
CXCR1 P25024 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KDM4A O75164 1/20 0.38
LTA4H P09960 3/20 0.37
LDHA P00338 1/20 0.37
P2RX7 Q99572 4/20 0.36
LAP3 P28838 1/20 0.36
SLC7A5 Q01650 1/20 0.36
PPARG P37231 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
GRB2 P62993 1/20 0.36
PPARA Q07869 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL27713540 0.84 LDHA (0.55) LTA4HLDHAPPARGPPARA
SCHEMBL1519755 0.83 GRB2 (0.45) PTPN1SLC7A5PPARGGRB2PPARA
SCHEMBL1519830 0.82 CTSS (0.46) PTPN1SLC7A5PPARGGRB2PPARA
SCHEMBL7048726 0.81 LDHA (0.40) PTPN1CXCR2CXCR1KDM4EKDM4A
SCHEMBL27816621 0.81 SLC7A5 (0.51) LTA4HLAP3SLC7A5
SCHEMBL1519895 0.81 SLC7A5 (0.41) PTPN1LTA4HLDHALAP3SLC7A5
SCHEMBL5966604 0.80 CYP3A4 (0.50) SLC7A5PPARGPPARA
SCHEMBL27590159 0.80 CYP3A4 (0.50) SLC7A5PPARGPPARA
SCHEMBL1912580 0.80 CTSS (0.46) LTA4HLDHASLC7A5PPARGPPARA
SCHEMBL27656101 0.80 SLC7A5 (0.40) PTPN1LTA4HLDHALAP3SLC7A5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1711239-A Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RES & DEV (FR) 2005-12-21 CN disclosed