SCHEMBL11207215

SCHEMBL11207215

CC[CH]COCC(O)CO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
DGKA P23743 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 2/20 0.32
AGTR1 P30556 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
FAAH O00519 2/20 0.31
PLA2G2C Q5R387 1/20 0.30
TSHR P16473 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
SCHEMBL28080873 0.81 USP2 (0.46) USP2CA1CA2CA7KDM4E
SCHEMBL11053700 0.77
SCHEMBL490252 0.77
Propane SCHEMBL5154976 0.76 USP2 (0.58) USP2KDM4ELMNADUSP3MEN1
Alcohol SCHEMBL2553945 0.76 USP2 (0.58) USP2KDM4ELMNADUSP3MEN1
SCHEMBL28742959 0.76 USP2 (0.44) USP2CA1CA2CA7KDM4E
SCHEMBL14374270 0.74 USP2 (0.42) USP2CA1CA2CA7KDM4E
SCHEMBL1133507 0.74 USP2 (0.42) USP2CA1CA2CA7KDM4E
SCHEMBL3512196 0.74 USP2 (0.42) USP2CA1CA2CA7KDM4E
SCHEMBL33689 0.74

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