SCHEMBL6239561

SCHEMBL6239561

CCCCCCCCCc1ccc(CC(CO)(CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.44
S1PR1 P21453 3/20 0.44
S1PR4 O95977 2/20 0.44
S1PR3 Q99500 2/20 0.44
SGPL1 O95470 1/20 0.44
GPR183 P32249 1/20 0.44
CERS2 Q96G23 1/20 0.44
S1PR5 Q9H228 1/20 0.44
SPHK2 Q9NRA0 3/20 0.43
FAAH O00519 1/20 0.43
SPHK1 Q9NYA1 2/20 0.42
S1PR2 O95136 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HAO1 Q9UJM8 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41

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
SCHEMBL6241344 0.90 S1PR1 (0.47) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL6236947 0.90 S1PR1 (0.47) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL6237747 0.90 S1PR1 (0.50) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL6258547 0.87 S1PR1 (0.47) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL6255594 0.86 HPGD (0.42) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL6262128 0.85 S1PR1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL6257860 0.85 S1PR1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL6255296 0.83 S1PR1 (0.50) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL6240287 0.82 S1PR1 (0.51) S1PR1S1PR4S1PR3S1PR5FAAH
SCHEMBL6241770 0.82 S1PR1 (0.51) S1PR1S1PR4S1PR3S1PR5FAAH

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-2005014603-A1 PHOSPHINANE COMPOUNDS WITH IMMUNOMODULATING ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed