SCHEMBL18498482

SCHEMBL18498482

COC(=O)C1CCC(SC(C)=O)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
BRD4 O60885 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL26477713 1.00 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL26477614 1.00 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL18498495 0.82 HRH3 (0.37) CHRM2CHRM3
SCHEMBL21807962 0.79 ACE (0.37)
SCHEMBL24906947 0.77 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13738413 0.77 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2824374 0.77 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL31196378 0.77 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL21841571 0.77 SMN1; SMN2 (0.33) SMN1; SMN2GAA
SCHEMBL15746423 0.74 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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-108026049-B Compositions and methods for treating and preventing neurodegenerative disorders 阿尔泽恩股份有限公司 2021-08-31 CN disclosed
EP-3334710-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS Alzheon, Inc. (US) 2018-06-20 EP disclosed
WO-2017027582-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING NEURODEGENERATIVE DISORDERS ALZHEON, INC. (US) 2017-02-16 WO disclosed