SCHEMBL6237749

SCHEMBL6237749

CCCCCCCCc1ccc(CCC(NC(=O)OC(C)(C)C)C(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
S1PR2 O95136 4/20 0.45
S1PR1 P21453 4/20 0.45
S1PR3 Q99500 3/20 0.44
S1PR4 O95977 2/20 0.44
SPHK1 Q9NYA1 6/20 0.44
SPHK2 Q9NRA0 1/20 0.44
CTSS P25774 1/20 0.43
ASAH2 Q9NR71 1/20 0.42
FAAH O00519 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
SCHEMBL12610133 0.86 CTSK (0.39) CTSKS1PR2S1PR1S1PR3S1PR4
SCHEMBL10324090 0.84 S1PR2 (0.51) S1PR2S1PR1S1PR3S1PR4SPHK1
SCHEMBL5454624 0.83 CTSK (0.55) CTSKS1PR2S1PR1CTSS
SCHEMBL5479821 0.83 CTSK (0.47) CTSKS1PR2S1PR1S1PR3SPHK1
SCHEMBL5454618 0.83 CTSK (0.55) CTSKS1PR2S1PR1CTSS
SCHEMBL5447774 0.82 CTSK (0.52) CTSKS1PR2S1PR1S1PR3SPHK1
SCHEMBL16934137 0.82 CTSK (0.52) CTSKS1PR2S1PR1S1PR3CTSS
SCHEMBL16945658 0.82 CTSK (0.52) CTSKS1PR2S1PR1S1PR3SPHK1
SCHEMBL5477122 0.82 CTSK (0.56) CTSK
SCHEMBL16934135 0.82 CTSK (0.52) CTSKS1PR2S1PR1S1PR3CTSS

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