SCHEMBL6529916

SCHEMBL6529916

CCCCOc1cccc(-c2cccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.39
KCNH2 Q12809 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
PPARG P37231 3/20 0.36
PTPN11 Q06124 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARA Q07869 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RY10 O00398 1/20 0.36

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 0.95 LMNA (0.37) CYP2D6PPARGPTPN11PTGESALOX5
SCHEMBL6530514 0.94 FDFT1 (0.41) NR1H4PPARGPTGESALOX5
SCHEMBL6530992 0.93 LMNA (0.40) PPARGPTPN11PTGESALOX5PPARA
SCHEMBL6502426 0.88 FFAR1 (0.42)
SCHEMBL6527017 0.86 MMP12 (0.40) PPARGPPARA
SCHEMBL6506648 0.85 PTPN11 (0.40) PTPN11MAPK1
SCHEMBL6528500 0.85 CTSA (0.39) NR1H4
SCHEMBL6528900 0.83 MMP12 (0.39) MAPK1
SCHEMBL6529141 0.82 RARB (0.38) PPARGPTPN11PTGESALOX5PPARA
SCHEMBL6528235 0.82 S1PR1 (0.46) PPARGPTPN11PTGESALOX5

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