SCHEMBL29929596

SCHEMBL29929596

O=C1c2ccc(O)c(O)c2C(=O)c2cccc(O)c21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.76
MAPT P10636 6/20 0.75
KMT2A Q03164 4/20 0.75
KDM4E B2RXH2 4/20 0.75
RECQL P46063 4/20 0.75
ALDH1A1 P00352 3/20 0.75
HPGD P15428 3/20 0.75
ALOX15 P16050 3/20 0.75
MAPK1 P28482 3/20 0.75
HSD17B10 Q99714 3/20 0.75
MEN1 O00255 3/20 0.75
CYP3A4 P08684 2/20 0.75
APEX1 P27695 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
BCL2 P10415 1/20 0.75
ALOX12 P18054 1/20 0.75
DAPK1 P53355 1/20 0.75
MCL1 Q07820 1/20 0.75
CYP1B1 Q16678 1/20 0.75
TDP1 Q9NUW8 2/20 0.74

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
SCHEMBL3185453 1.00 MAOA (0.76) MAOAMAPTKMT2AKDM4ERECQL
SCHEMBL30695841 1.00 MAOA (0.76) MAOAMAPTKMT2AKDM4ERECQL
Anthrarufin SCHEMBL9308318 0.94 MAPT (0.86) MAOAMAPTKMT2AKDM4ERECQL
SCHEMBL6901176 0.94 MAOA (0.77) MAOAMAPTKMT2AKDM4ERECQL
SCHEMBL29929513 0.94 MAOA (0.77) MAOAMAPTKMT2AKDM4ERECQL
Quinalizarin SCHEMBL9308575 0.91 MAOA (0.80) MAOAMAPTKMT2AKDM4ERECQL
SCHEMBL2772226 0.87 MAPT (0.86) MAOAMAPTKMT2AKDM4ERECQL
Anthrarufin SCHEMBL29874705 0.87 MAOA (1.00) MAOAMAPTKMT2AKDM4ERECQL
Anthrarufin SCHEMBL187843 0.87 MAOA (1.00) MAOAMAPTKMT2AKDM4ERECQL
Anthrarufin SCHEMBL29363946 0.87 MAOA (1.00) MAOAMAPTKMT2AKDM4ERECQL

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
US-20240315965-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2024-09-26 US claimed
WO-2022182527-A1 COMPOSITIONS AND METHODS RELATED TO PHARMACEUTICAL EXCIPIENTS Natural Extraction Systems, LLC (US) 2022-09-01 WO claimed