SCHEMBL8501290

SCHEMBL8501290

[CH2]CCCCCCCCCCCCCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.54
HRH4 Q9H3N8 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GBA1 P04062 2/20 0.43
UGCG Q16739 2/20 0.43
GBA2 Q9HCG7 2/20 0.43
EPHX2 P34913 1/20 0.43
TEAD3 Q99594 1/20 0.42
NAAA Q02083 4/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
LTA4H P09960 1/20 0.40
IDO1 P14902 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40

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
SCHEMBL59225 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL8497842 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL2165815 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL8498777 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL8497248 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL2167399 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL8500321 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL2167509 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL2167093 1.00 L3MBTL1 (0.54) L3MBTL1TDP1TSHRHRH4HRH3
SCHEMBL27562694 0.98 L3MBTL1 (0.53) L3MBTL1TDP1TSHRHRH4HRH3

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