SCHEMBL6502328

SCHEMBL6502328

CCCCOc1ccc(-c2ccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.42
RARA P10276 1/20 0.42
LMNA P02545 1/20 0.37
CNR2 P34972 3/20 0.34
CSF3R Q99062 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
S1PR1 P21453 1/20 0.34
PTGES O14684 2/20 0.33
ALOX5 P09917 2/20 0.33
PPARG P37231 2/20 0.33
MCL1 Q07820 1/20 0.33
PPARA Q07869 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
SCHEMBL6529230 0.87 LMNA (0.40) RARBLMNACNR2
SCHEMBL6529532 0.86 S1PR1 (0.44) RARBRARAFFAR1S1PR1PTGES
SCHEMBL6529689 0.86 LMNA (0.37) RARBRARALMNAFFAR1PTGES
SCHEMBL6530992 0.84 LMNA (0.40) RARBLMNAPTGESALOX5PPARG
SCHEMBL6528235 0.83 S1PR1 (0.46) RARBRARALMNACNR2FFAR1
SCHEMBL6530514 0.83 FDFT1 (0.41) LMNAPTGESALOX5PPARG
SCHEMBL6529753 0.83 PPARG (0.34) RARBLMNAFFAR1FFAR4PTGES
SCHEMBL6529916 0.80 CYP2D6 (0.39) PTGESALOX5PPARGPPARA
SCHEMBL6530119 0.79 S1PR1 (0.44) LMNAS1PR1PPARG
SCHEMBL6529141 0.79 RARB (0.38) RARBLMNAFFAR1FFAR4S1PR1

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