SCHEMBL6529753

SCHEMBL6529753

CCCCOc1ccc(-c2ccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)c(C)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.34
GAA P10253 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARD Q03181 4/20 0.33
PPARA Q07869 4/20 0.33
RARB P10826 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
WDR5 P61964 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL6502328 0.83 RARB (0.42) PPARGPTGESALOX5PPARARARB
SCHEMBL6529532 0.82 S1PR1 (0.44) PPARGPTGESALOX5PPARDRARB
SCHEMBL6530119 0.82 S1PR1 (0.44) PPARGMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6527581 0.81 MMP12 (0.36) RARBLMNA
SCHEMBL6529230 0.81 LMNA (0.40) MEN1KMT2ARARBTHRATHRB
SCHEMBL6499997 0.79 LMNA (0.36) PPARGPTGESALOX5FFAR1LMNA
SCHEMBL6532172 0.79 LTA4H (0.42) THRATHRBPDE4APDE4BPDE4C
SCHEMBL6529141 0.78 RARB (0.38) PPARGPTGESALOX5PPARDPPARA
SCHEMBL6529689 0.78 LMNA (0.37) PPARGPTGESALOX5PPARARARB
SCHEMBL6506648 0.77 PTPN11 (0.40) SMN1; SMN2THRATHRBPDE4APDE4B

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