SCHEMBL29079341

SCHEMBL29079341

C#Cc1ccc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
PPARG P37231 4/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
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

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
SCHEMBL29079347 0.88 PPARA (0.52) PPARASMN1; SMN2PPARGALDH1A1
SCHEMBL30624447 0.86 NLRP3 (0.52) PPARASMN1; SMN2PPARGRAB9ANPC1
SCHEMBL29079354 0.86 NLRP3 (0.52) PPARASMN1; SMN2PPARGRAB9ANPC1
SCHEMBL6558056 0.85 SMN1; SMN2 (0.58) PPARASMN1; SMN2PPARGRAB9ANPC1
SCHEMBL806019 0.85 RAB9A (0.68) PPARASMN1; SMN2PPARGRAB9ANPC1
SCHEMBL6557488 0.85 RAB9A (0.59) PPARASMN1; SMN2PPARGRAB9ANPC1
SCHEMBL6555975 0.84 PPARA (0.69) PPARASMN1; SMN2PPARGRAB9ANPC1
SCHEMBL6555962 0.84 GAA (0.64) PPARASMN1; SMN2PPARGRAB9ANPC1
SCHEMBL6557438 0.84 PPARA (0.69) PPARASMN1; SMN2PPARGRAB9ANPC1
SCHEMBL29079360 0.83 MEN1 (0.63) PPARASMN1; SMN2PPARGRAB9ANPC1

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