SCHEMBL9768134

SCHEMBL9768134

O=C(CNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(O)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 9/20 0.52
ALPL P05186 7/20 0.52
PLAA Q9Y263 4/20 0.48
HDAC6 Q9UBN7 1/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
PTGS2 P35354 1/20 0.43
XDH P47989 1/20 0.42
TOP1 P11387 1/20 0.41

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
SCHEMBL9767998 0.84 ALPG (0.50) ALPGALPLPLAAHDAC6CA12
SCHEMBL9768052 0.84 ALPG (0.50) ALPGALPLPLAAHDAC6CA12
SCHEMBL9768107 0.79 ALPL (0.51) ALPGALPLPLAACA12CA1
SCHEMBL9768012 0.78 ALPG (0.50) ALPGALPLPLAAHDAC6CA12
SCHEMBL14646958 0.78 ALPG (0.51) ALPGALPLPLAAHDAC6CA12
SCHEMBL9768330 0.77 ALPL (0.51) ALPGALPLPLAACA12CA1
SCHEMBL9768088 0.76 AKR1C3 (0.49) ALPGALPLPLAACA12CA1
SCHEMBL9768260 0.75 ERCC1 (0.60) ALPGALPLPLAACA12CA1
Adrenalone SCHEMBL29550997 0.74 ALPG (0.55) ALPGALPLPLAAHDAC6CA12
Adrenalone SCHEMBL123124 0.74 ALPG (0.55) ALPGALPLPLAAHDAC6CA12

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-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed