SCHEMBL6530174

SCHEMBL6530174

CCCCCCOc1cc(C)c(-c2ccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
THRB P10828 3/20 0.35
THRA P10827 2/20 0.35
P2RY10 O00398 1/20 0.35
S1PR1 P21453 3/20 0.34
S1PR4 O95977 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
S1PR2 O95136 1/20 0.33
RARB P10826 1/20 0.33
PTPN11 Q06124 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
SCHEMBL6499997 0.97 LMNA (0.36) LMNAP2RY10
SCHEMBL6529141 0.87 RARB (0.38) LMNAS1PR1S1PR3RARBPTPN11
SCHEMBL6504727 0.85 S1PR1 (0.45) S1PR1S1PR4S1PR3S1PR5S1PR2
SCHEMBL6529005 0.84 PTPN11 (0.40) LMNATHRBTHRAP2RY10S1PR1
SCHEMBL6527581 0.83 MMP12 (0.36) LMNAP2RY10S1PR1S1PR2RARB
SCHEMBL6530514 0.83 FDFT1 (0.41) LMNA
SCHEMBL6532172 0.82 LTA4H (0.42) THRBTHRACNR2PTPN11
SCHEMBL6530992 0.82 LMNA (0.40) LMNAP2RY10MMP9MMP8MMP13
SCHEMBL6528235 0.81 S1PR1 (0.46) LMNAS1PR1S1PR3CNR2RARB
SCHEMBL6530119 0.80 S1PR1 (0.44) LMNAS1PR1PTPN11

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