SCHEMBL11239489

SCHEMBL11239489

CC(CN)NCCC(=O)OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.36
EPHX2 P34913 1/20 0.35
TSHR P16473 3/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CETP P11597 1/20 0.30
NOTUM Q6P988 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
SCHEMBL11239070 0.85 TSHR (0.46) LMNAHTTMAPTEPHX2TSHR
SCHEMBL11338426 0.82 LMNA (0.50) LMNAHTTMAPTEPHX2TSHR
SCHEMBL11230486 0.81 LMNA (0.37) LMNAMAPTTSHRALDH1A1
SCHEMBL11237465 0.80 CYP1A2 (0.48) ALDH1A1
SCHEMBL11233700 0.77 ALDH1A1 (0.40) LMNAMAPTEPHX2ALDH1A1
SCHEMBL21396389 0.77 LMNA (0.46) LMNAHTTMAPTEPHX2TSHR
SCHEMBL11232456 0.76 SIGMAR1 (0.34) ALDH1A1ALOX15SIGMAR1
SCHEMBL10820629 0.76 LMNA (0.48) LMNAHTTMAPTEPHX2TSHR
SCHEMBL11220822 0.74 LMNA (0.47) LMNAHTTMAPTEPHX2TSHR
SCHEMBL11379764 0.74 LMNA (0.47) LMNAHTTMAPTEPHX2TSHR

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
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed
EP-0037861-A1 Salts of alkylenebisdithiocarbamic acid derivatives, processes for their preparation, fungicidal compositions containing them and methods of combating fungi TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-21 EP disclosed