SCHEMBL8499459

SCHEMBL8499459

CCCCCCCCC/C=C/CCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.81
MAPT P10636 2/20 0.81
MEN1 O00255 1/20 0.81
KMT2A Q03164 1/20 0.81
L3MBTL1 Q9Y468 1/20 0.81
HTT P42858 1/20 0.72
PKM P14618 2/20 0.69
THRB P10828 1/20 0.69
KDM4E B2RXH2 1/20 0.54
FAAH O00519 3/20 0.49
RECQL P46063 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
PPARA Q07869 1/20 0.42
TERT O14746 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8499460 1.00 ATM (0.81) ATMMAPTMEN1KMT2AL3MBTL1
SCHEMBL8498780 0.99 ATM (0.83) ATMMAPTMEN1KMT2AL3MBTL1
SCHEMBL8498782 0.99 ATM (0.83) ATMMAPTMEN1KMT2AL3MBTL1
SCHEMBL14733225 0.90 MAPT (0.65) ATMMAPTMEN1KMT2AL3MBTL1
SCHEMBL8499239 0.90 MAPT (1.00) ATMMAPTMEN1KMT2AL3MBTL1
SCHEMBL8498720 0.90 MAPT (1.00) ATMMAPTMEN1KMT2AL3MBTL1
SCHEMBL8499578 0.90 MAPT (1.00) ATMMAPTMEN1KMT2AL3MBTL1
SCHEMBL8498186 0.90 MAPT (1.00) ATMMAPTMEN1KMT2AL3MBTL1
SCHEMBL8496580 0.90 MAPT (1.00) ATMMAPTMEN1KMT2AL3MBTL1
SCHEMBL8499870 0.82 PKM (0.79) ATMMAPTMEN1KMT2AL3MBTL1

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