SCHEMBL29079339

SCHEMBL29079339

CSc1cccc(NC(=O)/C=C/c2ccc(O)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.81
KMT2A Q03164 5/20 0.81
NPC1 O15118 4/20 0.81
MAPT P10636 4/20 0.81
RAB9A P51151 4/20 0.81
SMN1; SMN2 Q16637 4/20 0.81
ALPG P10696 1/20 0.81
NPSR1 Q6W5P4 1/20 0.79
MMP1 P03956 13/20 0.71
MMP2 P08253 13/20 0.71
MMP9 P14780 13/20 0.71
KDM4E B2RXH2 2/20 0.70
ALDH1A1 P00352 2/20 0.70
LMNA P02545 1/20 0.70
HTT P42858 1/20 0.70
MAOA P21397 2/20 0.66
MAOB P27338 2/20 0.66
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65

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
SCHEMBL13675873 0.86 MEN1 (0.75) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL29167296 0.85 MEN1 (0.70) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL8756825 0.81 MMP1 (0.58) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL8756561 0.81 MMP1 (0.58) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL8756556 0.81 MMP1 (0.58) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL8756832 0.81 MMP1 (0.58) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL29079362 0.81 MEN1 (0.69) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL29079358 0.81 MEN1 (0.69) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL11704923 0.76 MMP1 (1.00) MAPTMMP1MMP2MMP9MAOA
SCHEMBL29277126 0.76 MAPT (0.63) MEN1KMT2ANPC1MAPTRAB9A

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-117417279-A Phenoxyacetic acid compound, isomer thereof, pharmaceutically acceptable salt or solvate thereof, pharmaceutical composition and medical application 中国人民解放军军事科学院军事医学研究院 2024-01-19 CN disclosed
CN-116803977-A Preparation method and application of phenoxyacetic acid derivative 中国人民解放军军事科学院军事医学研究院 2023-09-26 CN disclosed