SCHEMBL6530992

SCHEMBL6530992

CCCCCOc1ccc(-c2cccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PTPN11 Q06124 2/20 0.37
RARB P10826 3/20 0.37
P2RY10 O00398 1/20 0.37
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
PLA2G4B P0C869 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MMP12 P39900 1/20 0.35

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
SCHEMBL6529689 0.98 LMNA (0.37) LMNAPTPN11RARBP2RY10PTGES
SCHEMBL6529916 0.93 CYP2D6 (0.39) PTPN11P2RY10PTGESALOX5PPARG
SCHEMBL6530514 0.90 FDFT1 (0.41) LMNAPLA2G4BPTGESALOX5PPARG
SCHEMBL6527017 0.90 MMP12 (0.40) RARBPPARGPPARAMMP12
SCHEMBL6528500 0.89 CTSA (0.39) MMP12
SCHEMBL6506648 0.88 PTPN11 (0.40) PTPN11
SCHEMBL6502426 0.86 FFAR1 (0.42)
SCHEMBL6528900 0.85 MMP12 (0.39) LMNAMMP12
SCHEMBL6502328 0.84 RARB (0.42) LMNARARBPTGESALOX5PPARG
SCHEMBL6529230 0.84 LMNA (0.40) LMNARARBMMP9MMP8MMP13

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
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed