SCHEMBL8499436

SCHEMBL8499436

CCCCCCCCCCCCCCCCCCC(CO)(CO)NC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.69
ALDH1A1 P00352 1/20 0.50
HSP90AA1 P07900 1/20 0.50
FAAH O00519 6/20 0.48
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
TRPV1 Q8NER1 4/20 0.41
DNM1 Q05193 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 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
SCHEMBL8498722 1.00 HRH3 (0.69) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL8496596 0.96 HRH3 (0.64) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL1221877 0.91 HRH3 (0.81) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL7737049 0.91 HRH3 (0.81) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL3265245 0.91 HRH3 (0.60) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL16214678 0.91 HRH3 (0.81) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL2907984 0.91 HRH3 (0.81) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL3760754 0.91 HRH3 (0.81) HRH3ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL12328359 0.90 HRH3 (0.57) HRH3ALDH1A1MEN1KMT2A
SCHEMBL10445885 0.89 HRH3 (0.77) HRH3ALDH1A1HSP90AA1FAAHMEN1

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