SCHEMBL6529754

SCHEMBL6529754

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
PPARD Q03181 6/20 0.36
PPARA Q07869 5/20 0.36
PPARG P37231 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 3/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
RARB P10826 1/20 0.34
WDR5 P61964 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL6529533 0.80 S1PR1 (0.56) PPARDS1PR1RARB
SCHEMBL6529233 0.80 S1PR1 (0.41) MEN1KMT2AS1PR1RARBTHRA
SCHEMBL6527585 0.80 S1PR1 (0.39) S1PR1RARB
SCHEMBL6500002 0.77 S1PR1 (0.41) S1PR1FFAR1
SCHEMBL6532174 0.77 PDE4A (0.45) S1PR1
SCHEMBL6529144 0.76 S1PR1 (0.45) S1PR1FFAR1RARB
SCHEMBL6506651 0.75 S1PR1 (0.45) S1PR1THRATHRB
SCHEMBL6530516 0.75 SLC13A5 (0.53) S1PR1
SCHEMBL6530994 0.74 S1PR1 (0.43) S1PR1RARB
SCHEMBL6529918 0.74 SLC13A5 (0.45) PPARAPPARG

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