SCHEMBL27700970

SCHEMBL27700970

C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(C(=O)CCc2ccccc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.89
S1PR3 Q99500 18/20 0.89
S1PR4 O95977 9/20 0.89
S1PR5 Q9H228 9/20 0.89

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
SCHEMBL27700973 1.00 S1PR1 (0.89) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4981577 0.94 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4981567 0.94 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL28769408 0.83 S1PR4 (0.62) S1PR1S1PR3S1PR4S1PR5
SCHEMBL14263263 0.82 S1PR1 (0.89) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4982723 0.81 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4610985 0.81 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4761196 0.81 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL4986303 0.81 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5
SCHEMBL14263216 0.79 S1PR1 (0.75) 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
CN-101018761-A Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARM INC (US) 2007-08-15 CN disclosed