SCHEMBL903619

SCHEMBL903619

CCCCCCCCc1ccc(CCC(N)(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.56
S1PR4 O95977 8/20 0.56
S1PR3 Q99500 8/20 0.56
S1PR5 Q9H228 6/20 0.56
TNNC1 P63316 5/20 0.56
SGPL1 O95470 1/20 0.56
GPR183 P32249 1/20 0.56
CERS2 Q96G23 1/20 0.56
SPHK2 Q9NRA0 3/20 0.55
SPHK1 Q9NYA1 1/20 0.52
S1PR2 O95136 5/20 0.52
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
ENPP2 Q13822 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
SCHEMBL20118857 0.85 MEN1 (0.43) S1PR1S1PR3
SCHEMBL18118825 0.82 PPARA (0.52) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL903628 0.79 ATM (0.68) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL903609 0.79 PPARG (0.46) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL8538203 0.79 ATM (0.68) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL12912511 0.77 MEN1 (0.51) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL8533964 0.76 ATM (0.77) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL4820710 0.76 S1PR1 (0.61) S1PR1S1PR4S1PR3S1PR5
SCHEMBL12949944 0.76 ATM (0.64) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL23785536 0.75 TNNC1 (0.70) S1PR1S1PR4S1PR3S1PR5TNNC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041405-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 WO disclosed
WO-2012041707-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON BV (NL) 2012-04-05 WO disclosed
WO-2012041359-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 WO disclosed
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