SCHEMBL28793369

SCHEMBL28793369

CCCCCCCCCCCCN(C)CCS(=O)(=O)O.[KH]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
S1PR5 Q9H228 1/20 0.50
GGPS1 O95749 4/20 0.43
KDM4C Q9H3R0 6/20 0.42
KDM5A P29375 5/20 0.42
PHF8 Q9UPP1 2/20 0.42
FDPS P14324 1/20 0.42
AGTR1 P30556 1/20 0.42
OPRM1 P35372 1/20 0.42
PDE3A Q14432 1/20 0.42
DNM1 Q05193 3/20 0.41
LTA4H P09960 1/20 0.41
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KDM4A O75164 2/20 0.39
EPHX2 P34913 1/20 0.38

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
SCHEMBL27504524 1.00 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL6900475 1.00 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL7109405 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL20495919 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL26125775 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL28875752 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL2925349 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL22861284 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL5430321 0.98 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL625083 0.96 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR5GGPS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102660391-A Detergent composition SHISEIDO CO LTD 2012-09-12 CN disclosed
CN-101928645-B Detergent composition SHISEIDO CO LTD 2012-01-11 CN disclosed