SCHEMBL6262128

SCHEMBL6262128

CCCCCCCCc1ccc(CCC(CO)(CO)NC(=O)OC(C)(C)C)cc1.CCN(CC)CC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.45
S1PR4 O95977 7/20 0.45
S1PR3 Q99500 7/20 0.45
TNNC1 P63316 5/20 0.45
S1PR5 Q9H228 5/20 0.45
SGPL1 O95470 1/20 0.45
GPR183 P32249 1/20 0.45
CERS2 Q96G23 1/20 0.45
SPHK2 Q9NRA0 3/20 0.44
S1PR2 O95136 5/20 0.44
SPHK1 Q9NYA1 1/20 0.43
ENPP2 Q13822 1/20 0.40
KCNH2 Q12809 2/20 0.39
FAAH O00519 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
SCHEMBL6257860 1.00 S1PR1 (0.45) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL6237747 0.94 S1PR1 (0.50) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL6258547 0.91 S1PR1 (0.47) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL6236947 0.90 S1PR1 (0.47) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL6241344 0.90 S1PR1 (0.47) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL6255594 0.86 HPGD (0.42) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL6239561 0.85 TNNC1 (0.44) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL6236920 0.84 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5
SCHEMBL6257363 0.84 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5
SCHEMBL6241196 0.84 S1PR1 (0.55) 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-2005014603-A1 PHOSPHINANE COMPOUNDS WITH IMMUNOMODULATING ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed