SCHEMBL6528237

SCHEMBL6528237

CCCCOc1ccc(-c2ccc(CCC(COC(C)=O)(COC(C)=O)CC(N)=O)cc2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.57
S1PR3 Q99500 7/20 0.57
RARB P10826 2/20 0.41
S1PR4 O95977 4/20 0.40
S1PR5 Q9H228 3/20 0.40
FFAR1 O14842 2/20 0.40
PTPN11 Q06124 2/20 0.39
MCL1 Q07820 1/20 0.38
SLC13A5 Q86YT5 1/20 0.37
RARA P10276 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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 0.90 S1PR1 (0.45) S1PR1S1PR3RARBS1PR4S1PR5
SCHEMBL6529006 0.86 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5PTPN11
SCHEMBL6530516 0.85 SLC13A5 (0.53) S1PR1S1PR3S1PR4S1PR5SLC13A5
SCHEMBL6529533 0.84 S1PR1 (0.56) S1PR1S1PR3RARBS1PR4S1PR5
SCHEMBL6500002 0.83 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR5FFAR1
SCHEMBL6502330 0.82 RARB (0.45) S1PR1S1PR3RARBS1PR4S1PR5
SCHEMBL589158 0.81 S1PR1 (0.40) S1PR1S1PR3RARB
SCHEMBL6527585 0.80 S1PR1 (0.39) S1PR1S1PR3RARBS1PR4S1PR5
SCHEMBL6529918 0.80 SLC13A5 (0.45) PTPN11SLC13A5
SCHEMBL6529691 0.80 SLC13A5 (0.43) S1PR1S1PR3RARBS1PR4S1PR5

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