SCHEMBL8501592

SCHEMBL8501592

CCCCCCCCCCCC(=O)c1ccc(CCOC(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.57
THRB P10828 8/20 0.57
HSD17B3 P37058 6/20 0.56
STS P08842 4/20 0.50
HAO1 Q9UJM8 1/20 0.49

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
SCHEMBL4293988 1.00 THRA (0.57) THRATHRBHSD17B3STSHAO1
SCHEMBL4252573 0.85 THRA (0.55) THRATHRB
SCHEMBL19291196 0.85 THRA (0.55) THRATHRB
SCHEMBL7708000 0.83 THRA (0.46) THRATHRBHSD17B3STSHAO1
SCHEMBL8479392 0.83 HSD17B3 (0.69) THRATHRBHSD17B3HAO1
SCHEMBL11440891 0.83 THRA (0.79) THRATHRBHSD17B3HAO1
SCHEMBL17301080 0.82 THRA (0.50) THRATHRBHSD17B3STSHAO1
SCHEMBL7712100 0.81 THRA (0.45) THRATHRBHSD17B3STSHAO1
SCHEMBL7707971 0.81 THRA (0.45) THRATHRBHSD17B3STSHAO1
SCHEMBL1640478 0.81 L3MBTL1 (0.64)

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