SCHEMBL27570628

SCHEMBL27570628

CCN1CCCC1.COS(=O)(=O)O

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL30745032 0.98 KMT2A (0.41) KMT2ACYP2D6SMN1; SMN2HSD11B1MAPK1
Sulfuric Acid SCHEMBL28677389 0.84 KMT2A (0.47) KMT2ACYP2D6SMN1; SMN2HSD11B1MAPK1
SCHEMBL27970357 0.84 KMT2A (0.47) KMT2ACYP2D6SMN1; SMN2HSD11B1MAPK1
SCHEMBL15821157 0.83 ALDH1A1 (0.36) CYP2D6SMN1; SMN2MAPK1ALDH1A1KDM4E
SCHEMBL29252334 0.82 KMT2A (0.45) KMT2ACYP2D6SMN1; SMN2HSD11B1MAPK1
Sulfamate SCHEMBL11108768 0.82 KMT2A (0.45) KMT2ACYP2D6SMN1; SMN2HSD11B1GAA
SCHEMBL15329832 0.81 KMT2A (0.37) KMT2ACYP2D6SMN1; SMN2HSD11B1MAPK1
SCHEMBL3733585 0.80 HSD17B10 (0.37) KMT2ACYP2D6SMN1; SMN2MAPK1HSD17B10
Sulfamate SCHEMBL11104067 0.80 KMT2A (0.44) KMT2ACYP2D6SMN1; SMN2HSD11B1MAPK1
SCHEMBL15820868 0.79 HRH3 (0.43) ALDH1A1KDM4EHRH3

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
CN-1320089-C Biphasic composition induced by polydextrose and sucrose UNILEVER PLC (NL) 2007-06-06 CN disclosed
CN-1675348-A Biphasic composition induced by polydextrose and sucrose UNILEVER PLC (NL) 2005-09-28 CN disclosed