SCHEMBL8500458

SCHEMBL8500458

CCCCCCCCCCCCCCCCCCNC(CO)(CO)CCCCCCCCCCCCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.39
HRH3 Q9Y5N1 1/20 0.38
NAAA Q02083 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GGPS1 O95749 1/20 0.36
TNNC1 P63316 2/20 0.36
SGPL1 O95470 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
GPR183 P32249 1/20 0.36
CERS2 Q96G23 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL8497312 1.00 EPHX1 (0.39) EPHX1HRH3NAAALMNAALDH1A1
SCHEMBL8499702 1.00 EPHX1 (0.39) EPHX1HRH3NAAALMNAALDH1A1
SCHEMBL1221879 0.89 EPHX1 (0.44) EPHX1HRH3NAAALMNAALDH1A1
SCHEMBL6013242 0.89 EPHX1 (0.44) EPHX1HRH3NAAALMNAALDH1A1
SCHEMBL12858918 0.89 EPHX1 (0.44) EPHX1HRH3NAAALMNAALDH1A1
SCHEMBL1223604 0.89 EPHX1 (0.44) EPHX1HRH3NAAALMNAALDH1A1
SCHEMBL1222080 0.89 EPHX1 (0.44) EPHX1HRH3NAAALMNAALDH1A1
SCHEMBL1223539 0.89 EPHX1 (0.44) EPHX1HRH3NAAALMNAALDH1A1
Hydrochloric Acid SCHEMBL10615875 0.87 EPHX1 (0.42) EPHX1HRH3NAAALMNAALDH1A1
Bromide SCHEMBL8935087 0.87 EPHX1 (0.42) EPHX1HRH3NAAALMNAALDH1A1

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