SCHEMBL8496262

SCHEMBL8496262

CC(=O)NC(CCCCCCOCCOc1ccccc1)(COC(C)=O)COC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
PPARA Q07869 1/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
RARB P10826 1/20 0.38

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
SCHEMBL8500341 0.94 L3MBTL1 (0.49) L3MBTL1HDAC1HDAC2MTNR1AMTNR1B
SCHEMBL8496895 0.85 LMNA (0.41) MTNR1BRAB9ASMN1; SMN2RECQLNPC1
SCHEMBL8496321 0.84 ALDH1A1 (0.46) L3MBTL1RECQL
SCHEMBL8501770 0.80 L3MBTL1 (0.52) L3MBTL1HDAC1HDAC2MTNR1AMTNR1B
SCHEMBL8495872 0.80 L3MBTL1 (0.52) L3MBTL1HDAC1HDAC2MTNR1AMTNR1B
SCHEMBL8538233 0.80 FFAR1 (0.51) MTNR1AMTNR1B
SCHEMBL8500547 0.79 MEN1 (0.48) L3MBTL1MAPTTSHR
SCHEMBL8499050 0.79 MEN1 (0.48) L3MBTL1MAPTTSHR
SCHEMBL8499808 0.79 MEN1 (0.48) L3MBTL1MAPTTSHR
SCHEMBL8497538 0.79 MEN1 (0.48) L3MBTL1MAPTTSHR

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