SCHEMBL2591305

SCHEMBL2591305

CN(C1CCC1)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
ADH1C P00326 2/20 0.36
ADH1A P07327 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
MCOLN3 Q8TDD5 2/20 0.34
PKM P14618 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
ADH1B P00325 1/20 0.32

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
SCHEMBL2185721 0.95 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL2592782 0.95 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL5633224 0.92
SCHEMBL25477037 0.80 HTR2A (0.53) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL25477178 0.80 PER2 (0.34) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL25477040 0.75
SCHEMBL24393346 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL15867020 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL25477182 0.72 PER2 (0.30)
Sulfuric Acid SCHEMBL23531223 0.72 ADH1A (0.44) ALDH1A1MEN1KMT2AKDM4EUSP2

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-2567231-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS Givaudan SA (CH) 2013-03-13 EP disclosed
WO-2011138456-A1 METHODS TO IDENTIFY MODULATORS OF TAS2R4S RECEPTORS GIVAUDAN SA (CH) 2011-11-10 WO disclosed