SCHEMBL172239

SCHEMBL172239

CCCC(CC)OC(=O)CS

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 3/20 0.44
PRKCD Q05655 3/20 0.44
TSHR P16473 4/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CTSK P43235 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL36111 0.86 MAPT (0.44) PRKCAPRKCDMAPTMAPK1LMNA
SCHEMBL3268600 0.85 MAPT (0.43) PRKCAPRKCDMAPTMAPK1LMNA
SCHEMBL28431164 0.84 TSHR (0.37) PRKCAPRKCDTSHRHSD17B10MAPT
SCHEMBL5534325 0.83 PRKCA (0.46) PRKCAPRKCDTSHRMAPTMAPK1
SCHEMBL3793162 0.83 PRKCA (0.46) PRKCAPRKCDTSHRMAPTMAPK1
SCHEMBL27914337 0.82 MAPT (0.41) PRKCAPRKCDMAPTMAPK1LMNA
SCHEMBL4347723 0.81 ALDH1A1 (0.46) PRKCAPRKCDTSHRMAPTMAPK1
SCHEMBL7966012 0.79 PRKCA (0.44) PRKCAPRKCDTSHRMAPTMAPK1
SCHEMBL10613651 0.79 PRKCA (0.44) PRKCAPRKCDTSHRMAPTMAPK1
SCHEMBL632803 0.78 TSHR (0.42) TSHRHSD17B10MAPTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114829618-A Genetically engineered yeast cells and methods of use thereof 伯克利发酵科学公司 2022-07-29 CN disclosed
CN-110819451-A Unsaturated lactones as odorants 西姆莱斯股份公司 2020-02-21 CN disclosed
EP-2058346-B1 RESIN COMPOSITION FOR OPTICAL MATERIAL AND OPTICAL MATERIAL USING THE SAME MITSUBISHI GAS CHEMICAL CO (JP) 2012-03-07 EP disclosed