SCHEMBL29954470

SCHEMBL29954470

CC(C)(C)NC(=O)c1ccc(B(O)O)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
APEX1 P27695 1/20 0.54
ALDH1A1 P00352 3/20 0.41
HTT P42858 2/20 0.41
TTR P02766 1/20 0.41
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL4043611 1.00 POLB (0.54) POLBAPEX1ALDH1A1HTTTTR
SCHEMBL29956390 0.88 POLB (0.54) POLBAPEX1ALDH1A1HTTTTR
SCHEMBL248676 0.82 TTR (0.44) POLBALDH1A1TTRKDM4EMAPT
SCHEMBL20484093 0.81 POLB (0.50) POLBAPEX1ALDH1A1HTTKDM4E
SCHEMBL29957283 0.81 POLB (0.50) POLBAPEX1ALDH1A1HTTKDM4E
SCHEMBL6415937 0.80 KDM4E (0.61) POLBAPEX1ALDH1A1HTTKDM4E
SCHEMBL29956493 0.79 MAPT (0.64) POLBALDH1A1TTRKDM4EMAPT
SCHEMBL14484567 0.78 POLB (0.50) POLBAPEX1HTTPSMB8PSMB5
SCHEMBL4047592 0.78 ALDH1A1 (0.50) POLBALDH1A1TTRPSMB5KDM4E
SCHEMBL29955017 0.78 POLB (0.51) POLBALDH1A1TTRKDM4EMAPT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed