SCHEMBL11049263

SCHEMBL11049263

CCCS(=O)(=O)OC(CO)COCC(O)CO

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
KDM4E B2RXH2 2/20 0.37
DUSP3 P51452 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 2/20 0.34
DGKA P23743 1/20 0.33
PLA2G2C Q5R387 1/20 0.31
HTT P42858 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 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
SCHEMBL10933767 0.79 USP2 (0.51) USP2MEN1KMT2APLA2G2CHTT
SCHEMBL11049266 0.78 USP2 (0.47) USP2KDM4EDUSP3MEN1KMT2A
SCHEMBL345128 0.78 USP2 (0.39) USP2KDM4EDUSP3MEN1KMT2A
SCHEMBL28321218 0.75 USP2 (0.40) USP2KDM4EDUSP3MEN1KMT2A
Pentadecane SCHEMBL4653441 0.74 USP2 (0.67) USP2KDM4EDUSP3MEN1KMT2A
Dodecane SCHEMBL1468471 0.74 USP2 (0.67) USP2KDM4EDUSP3MEN1KMT2A
Hexane SCHEMBL1499944 0.72 USP2 (0.76) USP2KDM4EDUSP3MEN1KMT2A
Pentane SCHEMBL2305355 0.72 USP2 (0.69) USP2KDM4EDUSP3MEN1KMT2A
Decane SCHEMBL4105978 0.70 USP2 (0.80) USP2KDM4EDUSP3MEN1KMT2A
Octane SCHEMBL2308522 0.70 USP2 (0.80) USP2KDM4EDUSP3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4436672-A ANIONIC SURFACTANTS TEXACO, INC. (US) 1984-03-13 US disclosed