SCHEMBL8539748

SCHEMBL8539748

O=S(=O)(O)CCCc1ccc(OCCCCCCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.62
MGLL Q99685 3/20 0.57
S1PR1 P21453 5/20 0.56
S1PR3 Q99500 2/20 0.56
S1PR5 Q9H228 1/20 0.56
PLA2G4B P0C869 1/20 0.56
LTA4H P09960 1/20 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
SCHEMBL6752149 0.87 MGLL (0.75) FFAR1MGLLLTA4H
SCHEMBL1172031 0.86 MGLL (0.73) FFAR1MGLLLTA4H
SCHEMBL1171728 0.86 MGLL (0.73) FFAR1MGLLLTA4H
SCHEMBL8577180 0.85 MGLL (0.72) FFAR1MGLLLTA4H
SCHEMBL8499096 0.85 S1PR1 (0.69) S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL15270887 0.85 S1PR1 (0.69) S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL8497102 0.85 S1PR1 (0.69) S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL2686941 0.84 S1PR1 (0.67) S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL9393649 0.83 S1PR1 (0.66) S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL9452163 0.83 S1PR1 (0.66) S1PR1S1PR3S1PR5PLA2G4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed