SCHEMBL30815977

SCHEMBL30815977

CCCCOc1ccc2c(c1)C[C@@H](C)C(CNCCC(=O)O)=C2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.52
S1PR3 Q99500 3/20 0.52
S1PR5 Q9H228 3/20 0.42
PLA2G4B P0C869 1/20 0.39
PPARD Q03181 3/20 0.39
LTA4H P09960 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARA Q07869 1/20 0.37
HTR2A P28223 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL28465582 1.00 S1PR1 (0.52) S1PR1S1PR3S1PR5PLA2G4BPPARD
SCHEMBL23117708 1.00 S1PR1 (0.52) S1PR1S1PR3S1PR5PLA2G4BPPARD
SCHEMBL22829357 0.83 LTA4H (0.43) S1PR1S1PR3LTA4HGAAL3MBTL1
SCHEMBL22829398 0.83 LTA4H (0.43) S1PR1S1PR3LTA4HGAAL3MBTL1
SCHEMBL21295990 0.76 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL30815917 0.76 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL21308980 0.76 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL30816215 0.76 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL21296003 0.76 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL21297037 0.74 S1PR5 (0.38) S1PR1S1PR3S1PR5HTR2A

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