SCHEMBL8499050

SCHEMBL8499050

CCCCCCOCCCCCCCCC(COC(C)=O)(COC(C)=O)NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CES2 O00748 2/20 0.42
PLA2G2C Q5R387 5/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.40
THRB P10828 2/20 0.39
PKM P14618 1/20 0.39
EPHX1 P07099 1/20 0.38
FAAH O00519 1/20 0.38
TSHR P16473 2/20 0.37
NAAA Q02083 1/20 0.37
CES1 P23141 1/20 0.36

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
SCHEMBL8500547 1.00 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL8497538 1.00 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL8499808 1.00 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL8496893 0.93 MEN1 (0.54) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL8498808 0.93 MEN1 (0.54) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL8499423 0.93 MEN1 (0.54) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL8499817 0.93 MEN1 (0.54) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL8498993 0.93 MEN1 (0.54) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL8500274 0.93 MEN1 (0.54) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL8501287 0.93 MEN1 (0.54) MEN1MAPTKMT2AATML3MBTL1

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