SCHEMBL3393040

SCHEMBL3393040

C[Hg].NC(CS)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
PTGS2 P35354 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTGS1 P23219 2/20 0.49
GSTK1 Q9Y2Q3 1/20 0.49
SLC7A11 Q9UPY5 1/20 0.45
MME P08473 5/20 0.44
ACE P12821 4/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
MMP2 P08253 1/20 0.44
ECE1 P42892 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
NPEPPS P55786 1/20 0.42

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
SCHEMBL3393046 1.00 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL27574429 0.94 PTGS1 (0.53) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL213625 0.94 PTGS1 (0.53) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL213626 0.94 PTGS1 (0.53) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL11766266 0.94 PTGS1 (0.53) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL27922239 0.92 PTGS1 (0.51) ALDH1A1MAPTLMNAPTGS2TDP1
SCHEMBL27922237 0.92 PTGS1 (0.51) ALDH1A1MAPTLMNAPTGS2TDP1
Acetaldehyde SCHEMBL23115273 0.89 ALDH1A1 (0.48) ALDH1A1MAPTLMNAPTGS2TDP1
Cysteine SCHEMBL6014792 0.89 PTGS1 (0.61) ALDH1A1MAPTLMNAPTGS2TDP1
Cysteine SCHEMBL6014796 0.89 PTGS1 (0.61) ALDH1A1MAPTLMNAPTGS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100272814-A1 METHOD AND MEANS FOR PRODUCING BRONCHORELAXATION PHARMALUNDENSIS AB (SE) 2010-10-28 US claimed
EP-2234626-A1 METHOD AND MEANS FOR PRODUCING BRONCHORELAXATION Pharmalundensis AB (SE) 2010-10-06 EP claimed
WO-2009078782-A1 METHOD AND MEANS FOR PRODUCING BRONCHORELAXATION PHARMALUNDENSIS AB (SE) 2009-06-25 WO claimed
US-20100272814-A1 METHOD AND MEANS FOR PRODUCING BRONCHORELAXATION PHARMALUNDENSIS AB (SE) 2010-10-28 US disclosed
EP-2234626-A1 METHOD AND MEANS FOR PRODUCING BRONCHORELAXATION Pharmalundensis AB (SE) 2010-10-06 EP disclosed
WO-2009078782-A1 METHOD AND MEANS FOR PRODUCING BRONCHORELAXATION PHARMALUNDENSIS AB (SE) 2009-06-25 WO disclosed