SCHEMBL8498340

SCHEMBL8498340

CCCCCOc1ccc(CCCCC(COC(C)=O)(COC(C)=O)NC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.47
S1PR4 O95977 5/20 0.47
S1PR3 Q99500 5/20 0.47
S1PR5 Q9H228 4/20 0.47
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
ACACB O00763 1/20 0.42
PLA2G4A P47712 1/20 0.42

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
SCHEMBL8496364 0.99 S1PR1 (0.48) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL8499845 0.97 ALDH1A1 (0.46) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL8499121 0.96 S1PR1 (0.49) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL8499475 0.96 S1PR1 (0.49) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL8499547 0.93 S1PR1 (0.51) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL8499108 0.92 S1PR1 (0.53) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL8499033 0.92 S1PR1 (0.53) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL8499864 0.91 TNNC1 (0.45) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL8496902 0.91 TNNC1 (0.45) S1PR1S1PR4S1PR3S1PR5ALDH1A1
SCHEMBL8498944 0.91 TNNC1 (0.45) S1PR1S1PR4S1PR3S1PR5ALDH1A1

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