SCHEMBL9660801

SCHEMBL9660801

CCCCCCCCCCCCCCN1CCC[C@@H]1C=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.50
S1PR3 Q99500 3/20 0.50
S1PR5 Q9H228 3/20 0.50
S1PR4 O95977 1/20 0.50
BCHE P06276 7/20 0.42
OPRD1 P41143 1/20 0.41
GBA1 P04062 1/20 0.41
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
SPHK2 Q9NRA0 2/20 0.38
SPHK1 Q9NYA1 2/20 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
SCHEMBL27583251 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL27457135 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9660560 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL28854058 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9658827 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9660995 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9658854 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9660231 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9660891 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9661758 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4BCHE

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-0517262-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-09 EP disclosed