SCHEMBL6529005

SCHEMBL6529005

CCCCCCOc1ccc(-c2ccc(CCC(COC(C)=O)C(CC(N)=O)OC(C)=O)cc2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.40
LMNA P02545 1/20 0.39
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
LTA4H P09960 1/20 0.35
P2RY10 O00398 1/20 0.35
S1PR1 P21453 3/20 0.35
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 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
SCHEMBL6529141 0.88 RARB (0.38) PTPN11LMNAS1PR1S1PR3
SCHEMBL6528235 0.87 S1PR1 (0.46) PTPN11LMNACNR2S1PR1S1PR3
SCHEMBL6532172 0.86 LTA4H (0.42) PTPN11THRATHRBCNR2LTA4H
SCHEMBL6530174 0.84 LMNA (0.39) PTPN11LMNATHRATHRBCNR2
SCHEMBL6530514 0.83 FDFT1 (0.41) LMNA
SCHEMBL6504727 0.82 S1PR1 (0.45) S1PR1S1PR3S1PR5
SCHEMBL6530992 0.81 LMNA (0.40) PTPN11LMNAP2RY10
SCHEMBL6529849 0.80 MMP12 (0.35) LTA4H
SCHEMBL6530119 0.79 S1PR1 (0.44) PTPN11LMNAS1PR1
SCHEMBL6529532 0.79 S1PR1 (0.44) PTPN11THRATHRBLTA4HS1PR1

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