SCHEMBL8496598

SCHEMBL8496598

CC(CC(N)(CO)CO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
TRPA1 O75762 4/20 0.48
AOC3 Q16853 3/20 0.46
RIPK1 Q13546 1/20 0.44
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39
HIF1A Q16665 1/20 0.39

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
Tromethamine SCHEMBL11022757 0.81 TAAR1 (0.47) TAAR1TRPA1AOC3RIPK1KDM4E
SCHEMBL15958712 0.78 AOC3 (0.47) AOC3RIPK1KDM4EPOLBLMNA
SCHEMBL20342289 0.78 TRPA1 (0.50) TAAR1TRPA1AOC3RIPK1KDM4E
SCHEMBL18567132 0.78 TRPA1 (0.50) TAAR1TRPA1AOC3RIPK1KDM4E
SCHEMBL21322418 0.78 TAAR1 (0.56) TAAR1TRPA1AOC3RIPK1KDM4E
SCHEMBL21688445 0.76 TAAR1 (0.54) TAAR1TRPA1AOC3RIPK1KDM4E
SCHEMBL38652448 0.76 TAAR1 (0.53) TAAR1TRPA1AOC3RIPK1KDM4E
SCHEMBL27847314 0.74 TAAR1 (0.52) TAAR1TRPA1AOC3RIPK1
SCHEMBL20414618 0.74 TRPA1 (0.50) TAAR1TRPA1AOC3RIPK1LMNA
SCHEMBL2418232 0.74 RIPK1 (0.53) TAAR1TRPA1AOC3RIPK1LMNA

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