SCHEMBL28877376

SCHEMBL28877376

CN(C(=O)c1cc(O)cc(CC(=O)O)c1O)c1ccc(O)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
POLB P06746 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RGS12 O14924 2/20 0.39
NFKB1 P19838 2/20 0.39
APEX1 P27695 2/20 0.39
BLM P54132 2/20 0.39
GNAI1 P63096 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL30032060 1.00 ALOX15 (0.42) ALOX15POLBMEN1KMT2AHPGD
SCHEMBL30031472 0.85 POLB (0.42) POLBMEN1KMT2AKDM4EHSD17B10
SCHEMBL28877442 0.85 POLB (0.42) POLBMEN1KMT2AKDM4EHSD17B10
SCHEMBL28877475 0.84 POLB (0.38) ALOX15POLBMEN1KMT2AHPGD
SCHEMBL30032628 0.82 ALOX15 (0.43) ALOX15POLBMEN1KMT2AHPGD
SCHEMBL28877402 0.82 ALOX15 (0.43) ALOX15POLBMEN1KMT2AHPGD
SCHEMBL30032639 0.82 ALOX15 (0.46) ALOX15POLBMEN1KMT2AHPGD
SCHEMBL28877390 0.82 ALOX15 (0.46) ALOX15POLBMEN1KMT2AHPGD
SCHEMBL31371120 0.81 NR1H4 (0.39) POLBMEN1KMT2AAPEX1HSP90AA1
SCHEMBL23796741 0.75 KDM4E (0.47) ALOX15POLBMEN1KMT2AHPGD

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
CN-115279730-A 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments OM药物公司 2022-11-01 CN claimed