SCHEMBL15310532

SCHEMBL15310532

CCc1cccc(Sc2ccc(CCC(C)(N)COP(=O)(O)O)c(Cl)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.59
S1PR3 Q99500 9/20 0.44
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 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
SCHEMBL11949085 1.00 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5
SCHEMBL11888797 0.95 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL11888798 0.95 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL11949091 0.88 S1PR1 (0.59) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4421912 0.87 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL4421903 0.87 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL2131534 0.86 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5
SCHEMBL27870802 0.86 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5
SCHEMBL11888760 0.86 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5
SCHEMBL11888761 0.86 S1PR1 (0.56) S1PR1S1PR3S1PR4S1PR5

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-2058317-B1 AMINOPHOSPHORIC ACID ESTER DERIVATIVE AND S1P RECEPTOR MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN SEIYAKU KK (JP) 2013-10-16 EP disclosed