SCHEMBL4635630

SCHEMBL4635630

O=C(O)CNC(=O)[C@H](CS)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
GSTK1 Q9Y2Q3 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
PTGS2 P35354 2/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MME P08473 7/20 0.45
ACE P12821 5/20 0.45
ECE1 P42892 2/20 0.45
BLM P54132 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.45
NPEPPS P55786 1/20 0.45
KMT2A Q03164 1/20 0.45
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL4167222 1.00 PTGS1 (0.51) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL4635618 1.00 PTGS1 (0.51) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL929620 0.90 PTGS1 (0.43) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL930399 0.86 PTGS1 (0.41) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL27639531 0.86 ALDH1A1 (0.50) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL930206 0.83 PTGS1 (0.39) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL930209 0.82 PTGS1 (0.38) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL19579377 0.82 PTGS1 (0.58) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL197221 0.80 MAPT (0.50) PTGS1GSTK1ALDH1A1MAPTPTGS2
SCHEMBL69148 0.80 MAPT (0.50) PTGS1GSTK1ALDH1A1MAPTPTGS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1933642-A1 SALT ENHANCING COMPOUNDS AND USE Thomas Frank Hofmann & Andreas Dunkel Inst. für Lebensmittelchemie (DE) 2008-06-25 EP claimed
WO-2007042274-A1 SALT ENHANCING COMPOUNDS AND USE THOMAS FRANK HOFMANN & ANDREAS DUNKEL (DE) 2007-04-19 WO claimed
EP-3806661-A1 ANTAGONISTS OF T2R54 AND COMPOSITIONS AND USES THEREOF Firmenich Incorporated (US) 2021-04-21 EP disclosed
WO-2020033669-A1 ANTAGONISTS OF T2R54 AND COMPOSITIONS AND USES THEREOF FIRMENICH INCORPORATED (US) 2020-02-13 WO disclosed
EP-3356356-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2018-08-08 EP disclosed
EP-1933642-A1 SALT ENHANCING COMPOUNDS AND USE Thomas Frank Hofmann & Andreas Dunkel Inst. für Lebensmittelchemie (DE) 2008-06-25 EP disclosed
WO-2007042274-A1 SALT ENHANCING COMPOUNDS AND USE THOMAS FRANK HOFMANN & ANDREAS DUNKEL (DE) 2007-04-19 WO disclosed