SCHEMBL29079346

SCHEMBL29079346

CSc1cccc(NC(=O)CCc2ccc(OC(C)(C)C(=O)O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.50
STAT3 P40763 1/20 0.49
PPARA Q07869 2/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL29079342 0.89 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL29079337 0.87 PPARA (0.53) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL29079331 0.85 RAB9A (0.56) GAAMAPTALDH1A1HPGDRAB9A
SCHEMBL29079364 0.85 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1PPARALMNA
SCHEMBL29079338 0.81 MEN1 (0.63) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL29079329 0.80 PPARA (0.56) SMN1; SMN2KMT2AALDH1A1RAB9APPARA
SCHEMBL14345188 0.79 PPARA (0.53) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL9614371 0.79 PPARA (0.54) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL9614404 0.78 PPARA (0.61) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL14345202 0.77 USP2 (0.56) SMN1; SMN2KMT2AMAPTALDH1A1RAB9A

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