SCHEMBL31290902

SCHEMBL31290902

O=c1c(O)c(-c2ccccc2)oc2c(O)cccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.68
MEN1 O00255 7/20 0.64
CYP3A4 P08684 7/20 0.64
KMT2A Q03164 7/20 0.64
KDM4E B2RXH2 7/20 0.64
ALOX15 P16050 5/20 0.64
MAPK1 P28482 4/20 0.64
TP53 P04637 4/20 0.64
LMNA P02545 3/20 0.64
CYP1B1 Q16678 3/20 0.64
ABCB1 P08183 3/20 0.64
CA12 O43570 2/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CALM1 P0DP23 1/20 0.64
AR P10275 1/20 0.64
PKM P14618 1/20 0.64
CA9 Q16790 1/20 0.64
MAPT P10636 7/20 0.60
HSD17B10 Q99714 5/20 0.60

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
SCHEMBL15676500 0.84 ABCG2 (0.65) ABCG2MEN1CYP3A4KMT2AKDM4E
SCHEMBL8877681 0.84 ALDH1A1 (0.56) ABCG2MEN1CYP3A4KMT2AKDM4E
SCHEMBL31438664 0.84 ABCG2 (0.68) ABCG2MEN1CYP3A4KMT2AKDM4E
SCHEMBL5569925 0.84 ABCG2 (0.68) ABCG2MEN1CYP3A4KMT2AKDM4E
SCHEMBL8875864 0.83 ABCG2 (0.63) ABCG2MEN1CYP3A4KMT2AKDM4E
SCHEMBL7661955 0.83 CDK2 (0.68) ABCG2MEN1CYP3A4KMT2AKDM4E
SCHEMBL17292888 0.81 ABCG2 (1.00) ABCG2MEN1CYP3A4KMT2AKDM4E
SCHEMBL12835532 0.80 ABCG2 (0.59) ABCG2MEN1CYP3A4KMT2AKDM4E
SCHEMBL8875292 0.79 ABCG2 (0.58) ABCG2MEN1CYP3A4KMT2AKDM4E
SCHEMBL8875308 0.79 ABCG2 (0.58) ABCG2MEN1CYP3A4KMT2AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118973616-A Trkb ligand conjugated compounds and uses thereof 阿达尔克斯制药有限公司 2024-11-15 CN claimed
CN-122029177-A Oligonucleotides containing multiple ligands and/or lipids 阿达尔克斯制药有限公司 2026-05-12 CN disclosed
CN-122028913-A Oligonucleotides containing ligands in nucleobases, 2 'or 3' positions 阿达尔克斯制药有限公司 2026-05-12 CN disclosed
CN-122029176-A Containing a plurality of oligonucleotides modified oligonucleotides 阿达尔克斯制药有限公司 2026-05-12 CN disclosed
CN-118973616-A Trkb ligand conjugated compounds and uses thereof 阿达尔克斯制药有限公司 2024-11-15 CN disclosed