SCHEMBL8495669

SCHEMBL8495669

[CH2]CCCOCCCCCCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 6/20 0.47
IDO1 P14902 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MAOA P21397 1/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NAAA Q02083 1/20 0.44

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
SCHEMBL9021331 1.00 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL9021259 1.00 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL9021129 1.00 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL57220 0.98 TDP1 (0.50) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL8500469 0.96 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL73699 0.96 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL8496728 0.96 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL9022098 0.96 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL57993 0.96 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL9021124 0.96 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1

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