SCHEMBL3626577

SCHEMBL3626577

C=CCS(=O)(=O)C(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
NPSR1 Q6W5P4 4/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 2/20 0.42
ATM Q13315 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NLRP1 Q9C000 1/20 0.42
NTSR1 P30989 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
GSK3B P49841 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
C5AR1 P21730 1/20 0.40
HSD11B1 P28845 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
SCHEMBL8744064 0.81 AKT1 (0.45) ALDH1A1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL777046 0.79 ALDH1A1 (0.50) ALDH1A1NPSR1HTTLMNAKMT2A
SCHEMBL9312379 0.73 ALDH1A1 (0.43) ALDH1A1NPSR1HTTLMNAKMT2A
SCHEMBL180685 0.72 ALDH1A1 (0.56) ALDH1A1NPSR1HTTLMNAKMT2A
SCHEMBL8655199 0.71 ALDH1A1 (0.42) ALDH1A1NPSR1HTTLMNAKMT2A
Bicarbonate SCHEMBL27808442 0.71 CTSK (0.53) ALDH1A1NPSR1LMNAKMT2AMEN1
SCHEMBL7425960 0.71 ALDH1A1 (0.42) ALDH1A1NPSR1HTTLMNAKMT2A
SCHEMBL208703 0.71 KMT2A (0.39) ALDH1A1NPSR1HTTLMNAKMT2A
SCHEMBL27962643 0.71 ALDH1A1 (0.53) ALDH1A1HTTLMNAKMT2ASMN1; SMN2
SCHEMBL777939 0.70 ALDH1A1 (0.54) ALDH1A1NPSR1HTTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 EP disclosed
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 EP disclosed