SCHEMBL6499802

SCHEMBL6499802

CCCCCCOc1ccc(-c2ccc(CCC(N)(CO)COP(=O)(O)O)c(OC)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.75
S1PR3 Q99500 11/20 0.58
S1PR4 O95977 4/20 0.55
S1PR5 Q9H228 4/20 0.55
S1PR2 O95136 2/20 0.55

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
SCHEMBL6505165 0.86 S1PR1 (0.82) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL6528055 0.85 S1PR1 (0.74) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL6533761 0.83 S1PR1 (0.75) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL12631732 0.82 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL6510046 0.75 S1PR1 (0.93) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL6502028 0.75 S1PR1 (0.93) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL4809850 0.75 S1PR1 (0.79) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL6502776 0.75 S1PR1 (0.93) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL6505995 0.75 S1PR1 (0.89) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL6526785 0.75 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR5S1PR2

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
WO-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO claimed