SCHEMBL6529689

SCHEMBL6529689

CCCCOc1ccc(-c2cccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
MMP12 P39900 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
BCL2 P10415 1/20 0.35
CYP2D6 P10635 2/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
FFAR1 O14842 1/20 0.35
PTPN11 Q06124 1/20 0.35
P2RY10 O00398 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
SCHEMBL6530992 0.98 LMNA (0.40) LMNAPTGESALOX5PPARGPPARA
SCHEMBL6529916 0.95 CYP2D6 (0.39) PTGESALOX5PPARGPPARACYP2D6
SCHEMBL6530514 0.92 FDFT1 (0.41) LMNAPTGESALOX5PPARGMMP12
SCHEMBL6528500 0.90 CTSA (0.39) MMP12ACACBFFAR1
SCHEMBL6527017 0.89 MMP12 (0.40) PPARGPPARAMMP12RARARARB
SCHEMBL6502426 0.88 FFAR1 (0.42) FFAR1
SCHEMBL6528900 0.87 MMP12 (0.39) LMNAMMP12FFAR1
SCHEMBL6506648 0.87 PTPN11 (0.40) PTPN11
SCHEMBL6502328 0.86 RARB (0.42) LMNAPTGESALOX5PPARGPPARA
SCHEMBL6529532 0.82 S1PR1 (0.44) PTGESALOX5PPARGMMP12RARA

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