SCHEMBL29079335

SCHEMBL29079335

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.51
PPARG P37231 1/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 4/20 0.49
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 3/20 0.47
RORC P51449 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TBXAS1 P24557 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
SCHEMBL29079337 0.88 PPARA (0.53) PPARAPPARGSMN1; SMN2MAPTALDH1A1
SCHEMBL29079342 0.86 SMN1; SMN2 (0.71) SMN1; SMN2MAPTALDH1A1KMT2ALMNA
SCHEMBL6558056 0.86 SMN1; SMN2 (0.58) PPARAPPARGSMN1; SMN2MAPTRAB9A
SCHEMBL6557488 0.86 RAB9A (0.59) PPARAPPARGSMN1; SMN2MAPTRAB9A
SCHEMBL806019 0.86 RAB9A (0.68) PPARAPPARGSMN1; SMN2MAPTRAB9A
SCHEMBL6557438 0.85 PPARA (0.69) PPARAPPARGSMN1; SMN2MAPTRAB9A
SCHEMBL6555975 0.85 PPARA (0.69) PPARAPPARGSMN1; SMN2MAPTRAB9A
SCHEMBL6555962 0.85 GAA (0.64) PPARAPPARGSMN1; SMN2MAPTRAB9A
SCHEMBL29079360 0.84 MEN1 (0.63) PPARAPPARGSMN1; SMN2MAPTRAB9A
SCHEMBL6555921 0.83 PPARA (0.55) PPARAPPARGSMN1; SMN2MAPTRAB9A

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