SCHEMBL8500067

SCHEMBL8500067

C=CCC(CO)(CO)NC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9816463 0.79 KDM4E (0.45) KDM4EPKMHRH3MEN1KMT2A
SCHEMBL18622068 0.73 PKM (0.45) KDM4EPKMHRH3MEN1KMT2A
SCHEMBL26694736 0.73 TSHR (0.32)
SCHEMBL7156032 0.73 TSHR (0.32)
SCHEMBL4561796 0.72 TSHR (0.35)
SCHEMBL3402649 0.71 PKM (0.36) KDM4EPKMMEN1KMT2ASMN1; SMN2
SCHEMBL3485811 0.69 NAALAD2 (0.41) MEN1KMT2ASMN1; SMN2
SCHEMBL15796366 0.69 HRH3 (0.61) HRH3MEN1KMT2A
SCHEMBL14136486 0.68 PKM (0.41) KDM4EPKM
SCHEMBL8585464 0.68 MAPT (0.38) KDM4EPKMMEN1KMT2ASMN1; SMN2

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