SCHEMBL6530516

SCHEMBL6530516

CCCCOc1cccc(-c2ccc(CCC(COC(C)=O)(COC(C)=O)CC(N)=O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 5/20 0.53
S1PR1 P21453 6/20 0.43
S1PR3 Q99500 5/20 0.41
S1PR4 O95977 2/20 0.41
S1PR5 Q9H228 1/20 0.41
FDFT1 P37268 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
NR4A2 P43354 1/20 0.39
DHODH Q02127 1/20 0.39
PLA2G4B P0C869 1/20 0.39

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
SCHEMBL6529918 0.93 SLC13A5 (0.45) SLC13A5NR1H4
SCHEMBL6529691 0.91 SLC13A5 (0.43) SLC13A5S1PR1S1PR3S1PR4S1PR5
SCHEMBL6530994 0.90 S1PR1 (0.43) SLC13A5S1PR1S1PR3S1PR4S1PR5
SCHEMBL6529144 0.86 S1PR1 (0.45) SLC13A5S1PR1S1PR3S1PR4S1PR5
SCHEMBL6527018 0.85 RARB (0.41) S1PR1S1PR3S1PR4S1PR5
SCHEMBL6528237 0.85 S1PR1 (0.57) SLC13A5S1PR1S1PR3S1PR4S1PR5
SCHEMBL6500002 0.85 S1PR1 (0.41) SLC13A5S1PR1S1PR3S1PR4S1PR5
SCHEMBL6529533 0.84 S1PR1 (0.56) SLC13A5S1PR1S1PR3S1PR4S1PR5
SCHEMBL6530123 0.84 S1PR1 (0.56) S1PR1S1PR3
SCHEMBL6527585 0.83 S1PR1 (0.39) SLC13A5S1PR1S1PR3S1PR4S1PR5

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