SCHEMBL9938876

SCHEMBL9938876

COc1cc(N(C(=O)O)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
USP30 Q70CQ3 1/20 0.30
CSF1R P07333 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
SCHEMBL28892512 0.80 EGFR (0.35) UCHL1
SCHEMBL58724 0.77 CSF1R (0.39) CSF1R
SCHEMBL58552 0.77 LIPE (0.33) UCHL1CSF1R
SCHEMBL26101972 0.75 UCHL1 (0.33) UCHL1
SCHEMBL2157168 0.73 LIPG (0.37) UCHL1MEN1KMT2A
SCHEMBL22693612 0.73 EGFR (0.39) UCHL1MEN1ALDH1A1KMT2ACSF1R
SCHEMBL59027 0.73 F11 (0.39)
SCHEMBL23496925 0.72 KDM4E (0.42) UCHL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24745863 0.69 EGFR (0.38) UCHL1CSF1R
SCHEMBL16385172 0.69 EGFR (0.38) UCHL1MEN1ALDH1A1KMT2ACSF1R

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
EP-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed