SCHEMBL30816006

SCHEMBL30816006

CCCCCCOc1ccc2c(c1)C[C@H](C)C(CN1CC(C(=O)O)C1)=C2

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.62
S1PR5 Q9H228 12/20 0.62
S1PR3 Q99500 8/20 0.62
S1PR4 O95977 1/20 0.47

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
SCHEMBL21297033 1.00 S1PR1 (0.62) S1PR1S1PR5S1PR3S1PR4
SCHEMBL21296031 1.00 S1PR1 (0.62) S1PR1S1PR5S1PR3S1PR4
SCHEMBL30816000 1.00 S1PR1 (0.62) S1PR1S1PR5S1PR3S1PR4
SCHEMBL30816113 1.00 S1PR1 (0.62) S1PR1S1PR5S1PR3S1PR4
SCHEMBL30815943 1.00 S1PR1 (0.62) S1PR1S1PR5S1PR3S1PR4
SCHEMBL22829408 1.00 S1PR1 (0.62) S1PR1S1PR5S1PR3S1PR4
SCHEMBL21297640 1.00 S1PR1 (0.62) S1PR1S1PR5S1PR3S1PR4
SCHEMBL21296030 0.99 S1PR1 (0.61) S1PR1S1PR5S1PR3
SCHEMBL21308436 0.99 S1PR1 (0.61) S1PR1S1PR5S1PR3
SCHEMBL21308794 0.99 S1PR1 (0.61) S1PR1S1PR5S1PR3

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-111757869-B Compounds having S1P5 receptor agonistic activity 小野药品工业株式会社 2024-03-08 CN disclosed