SCHEMBL30367223

SCHEMBL30367223

N[C@@H](CC(=O)O)C(=O)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
HPGD P15428 7/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HMGB1 P09429 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 5/20 0.47
TSHR P16473 4/20 0.47
MAPT P10636 1/20 0.47
AKR1B1 P15121 1/20 0.41

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
SCHEMBL19064516 0.87 KDM4E (0.43) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL6069780 0.86 KDM4E (0.49) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL29524852 0.86 KDM4E (0.52) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL31013216 0.85 KDM4E (0.63) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL726909 0.83 KDM4E (0.46) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL15361966 0.82 MAPT (0.47) KDM4EHPGDALDH1A1SMN1; SMN2TDP1
SCHEMBL11179021 0.81 KDM4E (0.50) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL4552093 0.81 ERCC5 (0.45) HPGDSMN1; SMN2TSHRKMT2AGABBR2
SCHEMBL8411463 0.80 KDM4E (0.48) KDM4EHPGDALDH1A1SMN1; SMN2CA12
SCHEMBL10824784 0.80 KDM4E (0.48) KDM4EHPGDALDH1A1SMN1; SMN2CA12

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
CN-116600797-A Composition comprising tetrahydrocannabinol for the treatment of acute respiratory failure and/or acute respiratory distress syndrome A·N·纳吉 2023-08-15 CN disclosed
CN-109879839-B 6-piperazinemethyl-7-hydroxy benzofuran compound and medical application thereof 沈阳大学 2023-04-25 CN disclosed