SCHEMBL29181774

SCHEMBL29181774

CCNC(CC(N)=O)C(=O)c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 4/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
NAAA Q02083 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 3/20 0.38
MPO P05164 1/20 0.38

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
SCHEMBL27420222 0.87 KDM4E (0.44) KDM4EHPGDALDH1A1MAPTTSHR
SCHEMBL30731126 0.84 KDM4E (0.42) KDM4EHPGDALDH1A1MAPTTSHR
SCHEMBL28483122 0.84 KDM4E (0.42) KDM4EHPGDALDH1A1MAPTTSHR
SCHEMBL28563434 0.81 KDM4E (0.42) KDM4EHPGDALDH1A1MAPTTSHR
SCHEMBL31362806 0.77 GAA (0.47) KDM4EHPGDMAPTTSHRHTT
Phenol SCHEMBL27348628 0.76 ALDH1A1 (0.46) KDM4EALDH1A1MAPTCA1RAB9A
Phenol SCHEMBL28162156 0.76 ALDH1A1 (0.40) KDM4EALDH1A1MAPTRAB9AKMT2A
Phenol SCHEMBL28342610 0.76 ALDH1A1 (0.46) KDM4EALDH1A1MAPTCA1RAB9A
Phenol SCHEMBL2640784 0.76 ALDH1A1 (0.40) KDM4EALDH1A1MAPTRAB9AKMT2A
Phenol SCHEMBL1847412 0.76 ALDH1A1 (0.40) KDM4EALDH1A1MAPTRAB9AKMT2A

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-117487811-A Compositions and methods for treating complications and diseases associated with von willebrand factor 邦德治疗有限公司 2024-02-02 CN disclosed
CN-110520128-B Compositions and methods for treating complications and diseases associated with von Willebrand Factor 邦德治疗有限公司 2023-11-14 CN disclosed