SCHEMBL28373603

SCHEMBL28373603

CCOC(=O)CC(N)c1ccc(-c2ccccc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
GAA P10253 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTPN1 P18031 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MME P08473 1/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
F2 P00734 2/20 0.38

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
SCHEMBL30541308 1.00 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1GAAPPARG
SCHEMBL30541322 0.86 ALDH1A1 (0.43) GAAPPARGPPARAALDH1A1HTT
SCHEMBL28375240 0.86 ALDH1A1 (0.43) GAAPPARGPPARAALDH1A1HTT
SCHEMBL30671408 0.86 CTSA (0.47) SLC1A3SLC1A2SLC1A1GAAALDH1A1
SCHEMBL28375327 0.86 CTSA (0.47) SLC1A3SLC1A2SLC1A1GAAALDH1A1
SCHEMBL29219917 0.85 AKR1C3 (0.42) SLC1A3SLC1A2SLC1A1GAAPPARG
SCHEMBL30541483 0.85 SMN1; SMN2 (0.43) SLC1A3SLC1A2SLC1A1GAAALDH1A1
SCHEMBL28885092 0.85 SMN1; SMN2 (0.43) SLC1A3SLC1A2SLC1A1GAAALDH1A1
SCHEMBL20545291 0.83 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1PPARGPPARA
SCHEMBL20545289 0.83 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1PPARGPPARA

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-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN disclosed
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed