SCHEMBL6500002

SCHEMBL6500002

CCCCOc1cc(C)c(-c2ccc(CCC(COC(C)=O)(COC(C)=O)CC(N)=O)cc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.41
S1PR3 Q99500 7/20 0.41
S1PR4 O95977 5/20 0.41
S1PR5 Q9H228 4/20 0.41
FFAR1 O14842 3/20 0.37
SLC13A5 Q86YT5 1/20 0.36

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
SCHEMBL6530176 0.96 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5
SCHEMBL6529144 0.90 S1PR1 (0.45) S1PR1S1PR3S1PR4S1PR5FFAR1
SCHEMBL6527585 0.85 S1PR1 (0.39) S1PR1S1PR3S1PR4S1PR5SLC13A5
SCHEMBL6530516 0.85 SLC13A5 (0.53) S1PR1S1PR3S1PR4S1PR5SLC13A5
SCHEMBL6528237 0.83 S1PR1 (0.57) S1PR1S1PR3S1PR4S1PR5FFAR1
SCHEMBL6530123 0.82 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL6529691 0.82 SLC13A5 (0.43) S1PR1S1PR3S1PR4S1PR5FFAR1
SCHEMBL6504731 0.80 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5
SCHEMBL6529006 0.80 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5
SCHEMBL6530994 0.80 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5SLC13A5

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