SCHEMBL8501555

SCHEMBL8501555

CCCCCCCc1ccc(CCC(CO)(CO)NC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.60
S1PR4 O95977 7/20 0.60
S1PR3 Q99500 7/20 0.60
TNNC1 P63316 5/20 0.60
S1PR5 Q9H228 5/20 0.60
SGPL1 O95470 1/20 0.60
GPR183 P32249 1/20 0.60
CERS2 Q96G23 1/20 0.60
SPHK2 Q9NRA0 3/20 0.51
S1PR2 O95136 5/20 0.49
SPHK1 Q9NYA1 1/20 0.49
ENPP2 Q13822 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
FAAH O00519 1/20 0.48

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
SCHEMBL903624 1.00 S1PR1 (0.60) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL8499619 1.00 S1PR1 (0.60) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL8496762 1.00 S1PR1 (0.60) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL16919264 0.90 S1PR1 (0.52) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL17427772 0.88 PLK1 (0.44) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL18630036 0.87 S1PR1 (0.55) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL15796686 0.87 S1PR1 (0.46) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL18618719 0.87 S1PR1 (0.55) S1PR1S1PR4S1PR3TNNC1S1PR5
SCHEMBL8496714 0.87 S1PR1 (0.56) S1PR1S1PR4S1PR3S1PR5
SCHEMBL12064836 0.87 TNNC1 (0.43) S1PR1S1PR4S1PR3TNNC1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US 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