SCHEMBL9768052

SCHEMBL9768052

O=C(CNc1c(Cl)cccc1Cl)c1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 7/20 0.50
ALPL P05186 6/20 0.50
PLAA Q9Y263 2/20 0.49
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
HIF1A Q16665 1/20 0.44
TOP1 P11387 2/20 0.43
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
POLB P06746 1/20 0.41
CA4 P22748 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 0.88 ALPG (0.50) ALPGALPLPLAAGAAMAPT
SCHEMBL9768134 0.84 ALPG (0.52) ALPGALPLPLAAGAAMAPT
SCHEMBL9768330 0.84 ALPL (0.51) ALPGALPLPLAAGAAMAPT
SCHEMBL9768088 0.79 AKR1C3 (0.49) ALPGALPLPLAAGAAMAPT
SCHEMBL11407555 0.79 ALDH1A1 (0.55) GAAMAPTKDM4ESMN1; SMN2HTT
SCHEMBL9768012 0.79 ALPG (0.50) ALPGALPLPLAAGAAMAPT
SCHEMBL9768107 0.77 ALPL (0.51) ALPGALPLPLAAGAAMAPT
SCHEMBL9768260 0.76 ERCC1 (0.60) ALPGALPLPLAAGAAMAPT
SCHEMBL14646958 0.75 ALPG (0.51) ALPGALPLPLAAGAAMAPT
SCHEMBL9768099 0.74 AKR1C3 (0.49) ALPGALPLPLAAMAPTKDM4E

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