SCHEMBL5598064

SCHEMBL5598064

CCC/C=C/C1C(=O)CCC1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
HTT P42858 1/20 0.37
ALOX5 P09917 1/20 0.36
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SLCO2A1 Q92959 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PTGER2 P43116 4/20 0.31
SLC6A12 P48065 3/20 0.31
SLC6A11 P48066 3/20 0.31
SLC6A13 Q9NSD5 3/20 0.31
PTGER4 P35408 3/20 0.31
PTGER3 P43115 2/20 0.31
PTGIR P43119 2/20 0.30
NR1I2 O75469 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
SCHEMBL5598068 1.00 AKR1C4 (0.54) AKR1C4AKR1C3AKR1C2HTTALOX5
SCHEMBL20303552 1.00 AKR1C4 (0.54) AKR1C4AKR1C3AKR1C2HTTALOX5
SCHEMBL5383512 1.00 AKR1C4 (0.54) AKR1C4AKR1C3AKR1C2HTTALOX5
SCHEMBL30307635 0.90 AKR1C4 (0.44) AKR1C4AKR1C3AKR1C2HTTALOX5
SCHEMBL11840607 0.88 AKR1C4 (0.40) AKR1C4AKR1C3AKR1C2HTTTP53
SCHEMBL4399644 0.84 AKR1C4 (0.38) AKR1C4AKR1C3AKR1C2HTTALOX5
SCHEMBL28790649 0.84 AKR1C4 (0.38) AKR1C4AKR1C3AKR1C2HTTALOX5
SCHEMBL4399647 0.84 AKR1C4 (0.38) AKR1C4AKR1C3AKR1C2HTTALOX5
SCHEMBL4399643 0.84 AKR1C4 (0.38) AKR1C4AKR1C3AKR1C2HTTALOX5
SCHEMBL25276408 0.83 HTT (0.46) AKR1C4AKR1C3AKR1C2HTTALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3855917-A1 PESTICIDAL COMBINATIONS OF YERSINIA AND INSECT VIRUSES Novozymes BioAG A/S (DK) 2021-08-04 EP disclosed
WO-2021101937-A1 PSEUDOMONAS ISOLATES AND USES THEREOF NOVOZYMES BIOAG A/S (DK) 2021-05-27 WO disclosed
WO-2021086695-A1 MICROBACTERIUM ISOLATES AND USES THEREOF NOVOZYMES BIOAG A/S (DK) 2021-05-06 WO disclosed
WO-2021030400-A1 PESTICIDAL COMBINATIONS OF YERSINIA AND PROTEASES NOVOZYMES BIOAG A/S (DK) 2021-02-18 WO disclosed
WO-2020068654-A1 PESTICIDAL COMBINATIONS OF YERSINIA AND INSECT VIRUSES NOVOZYMES BIOAG A/S (DK) 2020-04-02 WO disclosed
WO-2019135972-A1 BACILLUS ISOLATES AND USES THEREOF MONSANTO TECHNOLOGY LLC (US) 2019-07-11 WO disclosed
WO-2019104173-A1 METHODS OF IMPROVING THE EFFECTIVENESS OF A CROP REFUGE MONSANTO TECHNOLOGY LLC (US) 2019-05-31 WO disclosed
US-7176163-B1 Pharmacological effect potentiators for pesticides MEIJA SEIKA KAISHA, LTD. (JP) 2007-02-13 US disclosed