SCHEMBL9767998

SCHEMBL9767998

O=C(CNc1c(Cl)cc(Cl)cc1Cl)c1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 6/20 0.50
ALPL P05186 5/20 0.50
PLAA Q9Y263 2/20 0.46
POLB P06746 3/20 0.41
GAA P10253 3/20 0.41
NSD2 O96028 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
XDH P47989 1/20 0.40

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
SCHEMBL9768052 0.88 ALPG (0.50) ALPGALPLPLAAPOLBGAA
SCHEMBL9768134 0.84 ALPG (0.52) ALPGALPLPLAAPOLBGAA
SCHEMBL9768107 0.80 ALPL (0.51) ALPGALPLPLAAPOLBGAA
SCHEMBL9768012 0.79 ALPG (0.50) ALPGALPLPLAAPOLBGAA
SCHEMBL9768330 0.78 ALPL (0.51) ALPGALPLPLAAGAACA12
SCHEMBL9768088 0.77 AKR1C3 (0.49) ALPGALPLPLAAGAACA12
SCHEMBL14646958 0.75 ALPG (0.51) ALPGALPLPLAAPOLBGAA
SCHEMBL9768260 0.73 ERCC1 (0.60) ALPGALPLPLAAPOLBGAA
Adrenalone SCHEMBL29550997 0.72 ALPG (0.55) ALPGALPLPLAAPOLBGAA
Adrenalone SCHEMBL123124 0.72 ALPG (0.55) ALPGALPLPLAAPOLBGAA

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