SCHEMBL8501770

SCHEMBL8501770

CC(=O)NC(CO)(CO)CCCCCCCCCCCCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
PPARA Q07869 1/20 0.45
KCNA3 P22001 1/20 0.44
RECQL P46063 1/20 0.43
FAAH O00519 5/20 0.43

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
SCHEMBL8495872 1.00 L3MBTL1 (0.52) L3MBTL1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL8496083 0.88 TP53 (0.51) FAAH
SCHEMBL8500341 0.85 L3MBTL1 (0.49) L3MBTL1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL8496262 0.80 L3MBTL1 (0.44) L3MBTL1MTNR1AMTNR1BHDAC1HDAC2
SCHEMBL8500379 0.80 S1PR1 (0.52)
SCHEMBL8496223 0.79 CNR1 (0.53) PPARA
SCHEMBL8496714 0.78 S1PR1 (0.56)
SCHEMBL8496350 0.74 ALDH1A1 (0.42) L3MBTL1
SCHEMBL8496883 0.74 KCNA3 (0.55) HDAC1HDAC2PPARAKCNA3RECQL
SCHEMBL8497490 0.74 KCNA3 (0.55) HDAC1HDAC2PPARAKCNA3RECQL

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 4 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
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