SCHEMBL4017372

SCHEMBL4017372

Cn1c(CCC(C)(N)COP(=O)(O)O)ccc1C(=O)CCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.71
S1PR3 Q99500 9/20 0.71
S1PR5 Q9H228 4/20 0.71
S1PR4 O95977 3/20 0.38
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACP3 P15309 1/20 0.36
AURKA O14965 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL386642 0.97 S1PR1 (0.67) S1PR1S1PR3S1PR5S1PR4MAPT
SCHEMBL4017370 0.94 S1PR1 (0.62) S1PR1S1PR3S1PR5MAPTKMT2A
SCHEMBL4015784 0.90 S1PR1 (0.81) S1PR1S1PR3S1PR5S1PR4
SCHEMBL386170 0.88 S1PR1 (0.84) S1PR1S1PR3S1PR5S1PR4
SCHEMBL383311 0.87 S1PR1 (0.51) S1PR1S1PR3S1PR5MAPTKMT2A
SCHEMBL385439 0.85 S1PR1 (0.51) S1PR1S1PR3S1PR5S1PR4MAPT
SCHEMBL386701 0.85 S1PR1 (0.79) S1PR1S1PR3S1PR5S1PR4
SCHEMBL385675 0.85 S1PR1 (0.79) S1PR1S1PR3S1PR5S1PR4
SCHEMBL386292 0.84 S1PR1 (0.81) S1PR1S1PR3S1PR5S1PR4
SCHEMBL383528 0.84 S1PR1 (0.48) S1PR1S1PR3S1PR5MAPTKMT2A

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
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP claimed