SCHEMBL6532395

SCHEMBL6532395

COc1cc(OCc2ccccc2)ccc1-c1ccc(CCC(COC(C)=O)(COC(C)=O)CC(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
FFAR1 O14842 6/20 0.44
SLC13A5 Q86YT5 1/20 0.42
MGAM O43451 3/20 0.41
GAA P10253 3/20 0.41
SI P14410 3/20 0.41
MGAM2 Q2M2H8 3/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GYS1 P13807 1/20 0.39
NOD2 Q9HC29 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PARP15 Q460N3 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
SCHEMBL6529006 0.85 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL6531218 0.85 SLC13A5 (0.41) SLC13A5
SCHEMBL6529853 0.78 SLC13A5 (0.39) SLC13A5MAPTMAPK1FFAR4
SCHEMBL6529144 0.76 S1PR1 (0.45) S1PR1S1PR3FFAR1SLC13A5
SCHEMBL6532394 0.76 PDE4A (0.41) FFAR1MGAMGAASIMGAM2
SCHEMBL6530516 0.73 SLC13A5 (0.53) S1PR1S1PR3SLC13A5
SCHEMBL18411548 0.73 GAA (0.65) MGAMGAASIMGAM2MAPT
SCHEMBL6500410 0.72 ACACB (0.42) S1PR1GAAMAPTNPSR1
SCHEMBL6502428 0.72 FFAR1 (0.44) FFAR1SLC13A5
SCHEMBL6532174 0.71 PDE4A (0.45) S1PR1S1PR3

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