SCHEMBL11528826

SCHEMBL11528826

CC(C)(C)OC(=O)N(CC(=O)O)c1ccc(O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.38
STAT5B P51692 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
STAT3 P40763 1/20 0.36
MLYCD O95822 1/20 0.34
ACHE P22303 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL6715518 0.89 PTGIR (0.37) STAT5BSTAT3MLYCDHDAC1HDAC8
SCHEMBL11531092 0.84 CA2 (0.40) STAT5B
SCHEMBL11531682 0.84 STAT5B (0.37) STAT5BESR1STAT3MLYCD
SCHEMBL3349318 0.82 MLYCD (0.41) MLYCD
SCHEMBL895556 0.80 MLYCD (0.39) MIFESR1ESR2MLYCD
SCHEMBL12275098 0.80 ESR1 (0.41) ESR1ESR2MLYCDACHEKDM4E
SCHEMBL4832488 0.80 HDAC1 (0.48) ACHEHDAC1HDAC8HDAC6
SCHEMBL27650496 0.79 BRD4 (0.42) MIFESR1ESR2ACHEKDM4E
SCHEMBL6302058 0.79 HDAC1 (0.36) MLYCDHDAC1HDAC8HDAC6
SCHEMBL11052501 0.79 NQO2 (0.39) STAT5BHSD17B10

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-4133882-A BACTERICIDES SMITHKLINE CORPORATION (US) 1979-01-09 US disclosed