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SCHEMBL6529006

SCHEMBL6529006

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 9/20 0.44
▸ S1PR3 Q99500 7/20 0.44
▸ S1PR4 O95977 5/20 0.44
▸ S1PR5 Q9H228 4/20 0.44
▸ PTPN11 Q06124 2/20 0.43
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL6529144 0.87 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5PTPN11
SCHEMBL6528237 0.86 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5PTPN11
SCHEMBL6532395 0.85 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL6532174 0.85 PDE4A (0.45) S1PR1S1PR3S1PR4S1PR5PTPN11
SCHEMBL6531218 0.82 SLC13A5 (0.41) —
SCHEMBL6529233 0.82 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR5THRA
SCHEMBL6530176 0.82 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5PTPN11
SCHEMBL6530516 0.82 SLC13A5 (0.53) S1PR1S1PR3S1PR4S1PR5
SCHEMBL6528871 0.80 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL6500002 0.80 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR5

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