SCHEMBL8496902

SCHEMBL8496902

CCCCCCc1ccc(CCCCCCCCC(COC(C)=O)(COC(C)=O)NC(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.45
S1PR1 P21453 3/20 0.45
S1PR4 O95977 2/20 0.45
S1PR3 Q99500 2/20 0.45
SGPL1 O95470 1/20 0.45
GPR183 P32249 1/20 0.45
CERS2 Q96G23 1/20 0.45
S1PR5 Q9H228 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FAAH O00519 1/20 0.44
S1PR2 O95136 1/20 0.43
SPHK2 Q9NRA0 2/20 0.42
SPHK1 Q9NYA1 1/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL8499864 1.00 TNNC1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL8498944 1.00 TNNC1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL8499530 0.97 TNNC1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL8499405 0.97 TNNC1 (0.42) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL8499400 0.97 TNNC1 (0.45) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL6508362 0.96 RARB (0.48) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL8499606 0.96 POLB (0.42) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL4917300 0.95 S1PR1 (0.48) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL8498832 0.95 S1PR1 (0.48) TNNC1S1PR1S1PR4S1PR3SGPL1
SCHEMBL8498503 0.95 S1PR1 (0.48) TNNC1S1PR1S1PR4S1PR3SGPL1

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