SCHEMBL28567356

SCHEMBL28567356

O=C(O)CC(NCc1ccccc1O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 2/20 0.47
TSHR P16473 2/20 0.47
CYP2D6 P10635 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 6/20 0.44
CA2 P00918 6/20 0.44
PKM P14618 1/20 0.44
CA9 Q16790 5/20 0.43
NOX4 Q9NPH5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MPO P05164 2/20 0.41
MME P08473 1/20 0.40
PKLR P30613 1/20 0.40

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
SCHEMBL11813050 0.88 MEN1 (0.50) AKR1B1POLBMAPK1HIF1ATSHR
SCHEMBL2228729 0.85 POLB (0.49) AKR1B1POLBMAPK1HIF1ATSHR
SCHEMBL1741412 0.85 POLB (0.49) AKR1B1POLBMAPK1HIF1ATSHR
SCHEMBL9049542 0.84 NAALAD2 (0.48) AKR1B1POLBMAPK1HIF1ATSHR
SCHEMBL6234672 0.83 POLB (0.61) POLBMAPK1HIF1ATSHRCYP2D6
SCHEMBL7760516 0.83 HIF1A (0.46) HIF1ATSHRCYP2D6GAAMAPT
SCHEMBL2878055 0.83 POLB (0.47) AKR1B1POLBMAPK1HIF1ATSHR
SCHEMBL2878063 0.83 POLB (0.47) AKR1B1POLBMAPK1HIF1ATSHR
SCHEMBL31267566 0.80 GAA (0.62) POLBGAAMAPTMME
SCHEMBL60484 0.80 GAA (0.62) POLBGAAMAPTMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898168-B Salt of 2-hydroxybenzylamine-succinic acid and preparation method thereof 天津大学 2022-11-11 CN claimed
CN-112898168-A Salt of 2-hydroxybenzylamine-succinic acid and preparation method thereof 天津大学 2021-06-04 CN claimed
CN-112898168-B Salt of 2-hydroxybenzylamine-succinic acid and preparation method thereof 天津大学 2022-11-11 CN disclosed
CN-112898168-B Salt of 2-hydroxybenzylamine-succinic acid and preparation method thereof 天津大学 2022-11-11 CN disclosed
CN-112898168-B Salt of 2-hydroxybenzylamine-succinic acid and preparation method thereof 天津大学 2022-11-11 CN disclosed
CN-112898168-A Salt of 2-hydroxybenzylamine-succinic acid and preparation method thereof 天津大学 2021-06-04 CN disclosed
CN-112898168-A Salt of 2-hydroxybenzylamine-succinic acid and preparation method thereof 天津大学 2021-06-04 CN disclosed
CN-112898168-A Salt of 2-hydroxybenzylamine-succinic acid and preparation method thereof 天津大学 2021-06-04 CN disclosed