SCHEMBL11207211

SCHEMBL11207211

C[CH]CCOCC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
HSD17B10 Q99714 1/20 0.37
LMNA P02545 3/20 0.35
CYP1A2 P05177 2/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DGKA P23743 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
FAAH O00519 2/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PLA2G2C Q5R387 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
SCHEMBL854679 0.80 USP2 (0.48) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL20467565 0.78 USP2 (0.47) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL13909999 0.78 USP2 (0.47) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL1881943 0.78 USP2 (0.60) USP2HSD17B10LMNACYP1A2AGTR1
SCHEMBL490252 0.77
SCHEMBL11389663 0.77
SCHEMBL374763 0.77
Acetaldehyde SCHEMBL7501450 0.77 USP2 (0.48) USP2LMNACYP1A2AGTR1ALDH1A1
SCHEMBL14396790 0.77
SCHEMBL4266733 0.76 USP2 (0.58) USP2HSD17B10LMNACYP1A2AGTR1

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-4398913-A ALKALINE PASTES CASSELLA AKTIENGESELLSCHAFT (DE) 1983-08-16 US disclosed