SCHEMBL6236920

SCHEMBL6236920

CCCCCCCCCOc1ccc(CCC(CO)(CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.55
S1PR4 O95977 6/20 0.55
S1PR3 Q99500 6/20 0.55
S1PR5 Q9H228 5/20 0.55
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL6241196 1.00 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL6257363 1.00 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL6261341 1.00 S1PR1 (0.55) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL6258194 0.99 S1PR1 (0.53) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL6241770 0.94 S1PR1 (0.51) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL6257966 0.94 S1PR1 (0.51) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL6240287 0.94 S1PR1 (0.51) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL6255296 0.94 S1PR1 (0.50) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL1624956 0.90 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5MEN1
SCHEMBL12721394 0.90 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5MEN1

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