SCHEMBL29079332

SCHEMBL29079332

CSc1ccc(NC(=O)Cc2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.58
ACHE P22303 3/20 0.58
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 3/20 0.54
NLRP3 Q96P20 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
EPHX2 P34913 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL29079375 0.85 HDAC2 (0.55) LMNAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL5200045 0.82 KMT2A (0.60) LMNAMAPTKMT2ANPSR1GAA
SCHEMBL29079372 0.82 SMN1; SMN2 (0.74) MAPTKMT2ANLRP3ALDH1A1SMN1; SMN2
SCHEMBL24467940 0.82 NLRP3 (0.73) BCHEACHELMNAMAPTKMT2A
SCHEMBL3166771 0.82 SMN1; SMN2 (0.69) BCHEACHELMNAMAPTKMT2A
SCHEMBL2456637 0.82 SMN1; SMN2 (0.73) BCHEACHELMNAMAPTKMT2A
SCHEMBL9372097 0.80 SMN1; SMN2 (0.60) BCHEACHELMNAMAPTKMT2A
SCHEMBL9366570 0.80 RAB9A (0.64) LMNAMAPTKMT2ANPSR1GAA
SCHEMBL4451257 0.79 GAA (0.59) BCHEACHELMNAMAPTKMT2A
SCHEMBL4420812 0.78 EPHX2 (0.79) BCHEACHELMNAMAPTKMT2A

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