SCHEMBL30141006

SCHEMBL30141006

O=C(OC1Cc2ccccc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 1.00
IGF1R P08069 1/20 1.00
HSP90AB1 P08238 3/20 0.89
BACE1 P56817 5/20 0.66
BCL2 P10415 4/20 0.66
PSMB5 P28074 4/20 0.66
SNCA P37840 4/20 0.66
PGD P52209 4/20 0.66
MET P08581 3/20 0.66
KDM4E B2RXH2 3/20 0.66
MEN1 O00255 3/20 0.66
MAPT P10636 3/20 0.66
RECQL P46063 3/20 0.66
KMT2A Q03164 3/20 0.66
TDP1 Q9NUW8 3/20 0.66
PKM P14618 3/20 0.66
PKMYT1 Q99640 2/20 0.66
SIRT6 Q8N6T7 2/20 0.66
USP2 O75604 2/20 0.66
CYP3A4 P08684 2/20 0.66

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
SCHEMBL24983851 1.00 DYRK1A (1.00) DYRK1AIGF1RHSP90AB1BACE1BCL2
SCHEMBL24984288 1.00 DYRK1A (1.00) DYRK1AIGF1RHSP90AB1BACE1BCL2
SCHEMBL30987004 1.00 DYRK1A (1.00) DYRK1AIGF1RHSP90AB1BACE1BCL2
SCHEMBL17972588 0.94 HSP90AB1 (1.00) DYRK1AIGF1RHSP90AB1BACE1BCL2
SCHEMBL17220840 0.94 HSP90AB1 (1.00) DYRK1AIGF1RHSP90AB1BACE1BCL2
SCHEMBL17220841 0.94 HSP90AB1 (1.00) DYRK1AIGF1RHSP90AB1BACE1BCL2
SCHEMBL20043083 0.94 HSP90AB1 (1.00) DYRK1AIGF1RHSP90AB1BACE1BCL2
SCHEMBL6765008 0.94 HSP90AB1 (1.00) DYRK1AIGF1RHSP90AB1BACE1BCL2
SCHEMBL18255324 0.89 DYRK1A (0.79) DYRK1AIGF1RHSP90AB1BACE1BCL2
SCHEMBL21381204 0.87 HSP90AB1 (0.78) DYRK1AIGF1RHSP90AB1BACE1BCL2

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
WO-2023288020-A1 COMPOSITIONS AND METHODS FOR ANTIOXIDANT AND ANTI-INFLAMMATORY THERAPEUTICS AVANTI BIOSCIENCES INC. (US) 2023-01-19 WO disclosed