SCHEMBL6504731

SCHEMBL6504731

CCCCCCCc1ccc(-c2ccc(CCC(COC(C)=O)(COC(C)=O)CC(N)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.47
RARB P10826 6/20 0.47
S1PR4 O95977 6/20 0.47
S1PR3 Q99500 6/20 0.47
TNNC1 P63316 5/20 0.47
S1PR5 Q9H228 5/20 0.47
RARA P10276 2/20 0.47
SGPL1 O95470 1/20 0.47
GPR183 P32249 1/20 0.47
CERS2 Q96G23 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
SPHK2 Q9NRA0 3/20 0.44
SPHK1 Q9NYA1 1/20 0.44
S1PR2 O95136 4/20 0.43
RARG P13631 1/20 0.42

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
SCHEMBL6527018 0.92 RARB (0.41) S1PR1RARBS1PR4S1PR3TNNC1
SCHEMBL8520804 0.85 THRA (0.45) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL6532174 0.84 PDE4A (0.45) S1PR1S1PR4S1PR3S1PR5
SCHEMBL6527585 0.83 S1PR1 (0.39) S1PR1RARBS1PR4S1PR3S1PR5
SCHEMBL6530176 0.83 S1PR1 (0.45) S1PR1RARBS1PR4S1PR3S1PR5
SCHEMBL6530516 0.82 SLC13A5 (0.53) S1PR1S1PR4S1PR3S1PR5
SCHEMBL6530123 0.82 S1PR1 (0.56) S1PR1S1PR3MEN1ALDH1A1MAPT
SCHEMBL6529533 0.82 S1PR1 (0.56) S1PR1RARBS1PR4S1PR3S1PR5
SCHEMBL6529513 0.81 HDAC1 (0.36) MEN1MAPTKMT2A
SCHEMBL6500002 0.80 S1PR1 (0.41) S1PR1S1PR4S1PR3S1PR5

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