SCHEMBL29079362

SCHEMBL29079362

CSc1cccc(NC(=O)C=Cc2ccc(OC(C)(C)C(=O)O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.69
KMT2A Q03164 8/20 0.69
SMN1; SMN2 Q16637 8/20 0.69
MAPT P10636 7/20 0.69
NPC1 O15118 6/20 0.69
RAB9A P51151 6/20 0.69
ALPG P10696 1/20 0.69
NPSR1 Q6W5P4 1/20 0.65
ALDH1A1 P00352 4/20 0.58
LMNA P02545 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HTT P42858 1/20 0.58
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
POLB P06746 2/20 0.53
TRPV1 Q8NER1 3/20 0.52
MMP1 P03956 6/20 0.51
MMP2 P08253 6/20 0.51
MMP9 P14780 6/20 0.51

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
SCHEMBL29079358 1.00 MEN1 (0.69) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL13675873 0.82 MEN1 (0.75) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL29079339 0.81 MEN1 (0.81) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL29079342 0.78 SMN1; SMN2 (0.71) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL29079346 0.77 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2MAPTRAB9A
SCHEMBL29167296 0.74 MEN1 (0.70) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL29079364 0.74 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1LMNAKDM4E
SCHEMBL25188821 0.74 PPARG (0.69) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL814379 0.74 PPARG (0.69) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL25193908 0.74 PPARG (0.69) MEN1KMT2ASMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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