SCHEMBL6529230

SCHEMBL6529230

CCCCCCOc1ccc(-c2ccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)c(OC)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CNR2 P34972 4/20 0.38
CNR1 P21554 1/20 0.38
RARB P10826 3/20 0.37
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
PLA2G4B P0C869 1/20 0.35
LTA4H P09960 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL6502328 0.87 RARB (0.42) LMNACNR2RARB
SCHEMBL6532172 0.86 LTA4H (0.42) CNR2LTA4HTHRATHRBPDE4A
SCHEMBL6530992 0.84 LMNA (0.40) LMNARARBMMP9MMP8MMP13
SCHEMBL6529005 0.84 PTPN11 (0.40) LMNACNR2CNR1LTA4HTHRA
SCHEMBL6529689 0.82 LMNA (0.37) LMNARARB
SCHEMBL6530514 0.80 FDFT1 (0.41) LMNAPLA2G4B
SCHEMBL6530174 0.78 LMNA (0.39) LMNACNR2CNR1RARBMMP9
SCHEMBL6504727 0.78 S1PR1 (0.45) RARBMEN1ALDH1A1KMT2A
SCHEMBL6529532 0.77 S1PR1 (0.44) RARBLTA4HTHRATHRBPDE4A
SCHEMBL6529916 0.77 CYP2D6 (0.39)

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