SCHEMBL8497643

SCHEMBL8497643

CC(=O)NC(CCCCCCCCCCCCO)(COC(C)=O)COC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
PKM P14618 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 6/20 0.32

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
SCHEMBL8500502 0.87 MEN1 (0.54) HTTPKMTHRBMEN1MAPT
SCHEMBL8498993 0.87 MEN1 (0.54) HTTPKMTHRBMEN1MAPT
SCHEMBL8499817 0.87 MEN1 (0.54) HTTPKMTHRBMEN1MAPT
SCHEMBL8499939 0.87 MEN1 (0.54) HTTPKMTHRBMEN1MAPT
SCHEMBL8499423 0.87 MEN1 (0.54) HTTPKMTHRBMEN1MAPT
SCHEMBL8498808 0.87 MEN1 (0.54) HTTPKMTHRBMEN1MAPT
SCHEMBL8496893 0.87 MEN1 (0.54) HTTPKMTHRBMEN1MAPT
SCHEMBL8500274 0.87 MEN1 (0.54) HTTPKMTHRBMEN1MAPT
SCHEMBL8501287 0.87 MEN1 (0.54) HTTPKMTHRBMEN1MAPT
SCHEMBL8496845 0.87 MEN1 (0.54) HTTPKMTHRBMEN1MAPT

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