SCHEMBL6532172

SCHEMBL6532172

CCCCCCOc1ccc(-c2ccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)cc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
PTPN11 Q06124 2/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
CNR2 P34972 1/20 0.38
CTSD P07339 1/20 0.37
SMPD1 P17405 3/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL6530119 0.86 S1PR1 (0.44) PTPN11PTPN1PTPN6
SCHEMBL6529532 0.86 S1PR1 (0.44) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL6529005 0.86 PTPN11 (0.40) LTA4HPTPN11CNR2THRATHRB
SCHEMBL6504727 0.86 S1PR1 (0.45)
SCHEMBL6527017 0.83 MMP12 (0.40)
SCHEMBL6530174 0.82 LMNA (0.39) PTPN11CNR2THRATHRB
SCHEMBL6530514 0.82 FDFT1 (0.41)
SCHEMBL6506648 0.82 PTPN11 (0.40) LTA4HPDE4APDE4BPDE4CPDE4D
SCHEMBL6530992 0.81 LMNA (0.40) PTPN11
SCHEMBL6527581 0.81 MMP12 (0.36) LTA4H

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