SCHEMBL6530994

SCHEMBL6530994

CCCCCOc1ccc(-c2cccc(CCC(COC(C)=O)(COC(C)=O)CC(N)=O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.43
S1PR3 Q99500 5/20 0.43
S1PR4 O95977 4/20 0.43
S1PR5 Q9H228 3/20 0.43
SLC13A5 Q86YT5 1/20 0.41
BCL2 P10415 1/20 0.40
RARB P10826 3/20 0.40
PTPN11 Q06124 2/20 0.40
GGPS1 O95749 2/20 0.39
PLA2G4B P0C869 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
SCHEMBL6529691 0.98 SLC13A5 (0.43) S1PR1S1PR3S1PR4S1PR5SLC13A5
SCHEMBL6529918 0.92 SLC13A5 (0.45) SLC13A5PTPN11GGPS1
SCHEMBL6530516 0.90 SLC13A5 (0.53) S1PR1S1PR3S1PR4S1PR5SLC13A5
SCHEMBL6527018 0.89 RARB (0.41) S1PR1S1PR3S1PR4S1PR5RARB
SCHEMBL6506651 0.87 S1PR1 (0.45) S1PR1S1PR3PTPN11
SCHEMBL6528501 0.86 CTSA (0.38) S1PR1S1PR3SLC13A5BCL2
SCHEMBL6528902 0.84 MMP3 (0.38) SLC13A5BCL2
SCHEMBL6502428 0.84 FFAR1 (0.44) SLC13A5
SCHEMBL6502330 0.83 RARB (0.45) S1PR1S1PR3S1PR4S1PR5RARB
SCHEMBL6529233 0.83 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR5RARB

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