SCHEMBL28337241

SCHEMBL28337241

O=Cc1cc(Cl)cc(Cl)c1O.[Pd]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.96
ALDH1A1 P00352 5/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 3/20 0.54
CYP3A4 P08684 2/20 0.54
RECQL P46063 2/20 0.54
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL294059 0.98 ERN1 (1.00) ERN1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL29382880 0.98 ERN1 (1.00) ERN1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL27998889 0.96 ERN1 (0.96) ERN1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL30294924 0.96 ERN1 (0.96) ERN1ALDH1A1TSHRHSD17B10CYP3A4
Bicarbonate SCHEMBL8193408 0.88 ERN1 (0.81) ERN1ALDH1A1TSHRHSD17B10CYP3A4
Bicarbonate SCHEMBL8193406 0.88 ERN1 (0.81) ERN1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL27854738 0.88 ERN1 (0.81) ERN1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL6093685 0.86 ERN1 (1.00) ERN1ALDH1A1TSHRHSD17B10CYP3A4
SCHEMBL27938949 0.84 ERN1 (0.73) ERN1ALDH1A1TSHRHSD17B10CYP3A4
Glycine SCHEMBL29175399 0.84 ERN1 (0.73) ERN1ALDH1A1TSHRHSD17B10CYP3A4

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
CN-110506041-A Carbon monoxide-olefin polymeric for the manufacturing method by carbon dioxide and 1,3- butadiene manufacture delta-lactone PTT GLOBAL CHEMICAL PUBLIC CO LTD 2019-11-26 CN claimed
CN-110506041-A Carbon monoxide-olefin polymeric for the manufacturing method by carbon dioxide and 1,3- butadiene manufacture delta-lactone PTT GLOBAL CHEMICAL PUBLIC CO LTD 2019-11-26 CN disclosed