SCHEMBL2149381

SCHEMBL2149381

CCC(=O)Oc1c(NC(=O)OC(C)(C)C)cccc1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
DRD2 P14416 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL28720031 0.90 MTNR1B (0.40) KMT2AL3MBTL1BRD4GAAALDH1A1
SCHEMBL21808583 0.87 RXFP1 (0.39) KMT2AGAAALDH1A1RXFP1EPHX2
SCHEMBL29103423 0.86 L3MBTL1 (0.46) KMT2AL3MBTL1GAAALDH1A1RXFP1
SCHEMBL1097144 0.85 BRD4 (0.49) KMT2AL3MBTL1BRD4SMN1; SMN2GAA
SCHEMBL2499152 0.85 HSP90AA1 (0.41) KMT2ABRD4ALDH1A1RXFP1LMNA
SCHEMBL28956936 0.84 GAA (0.38) BRD4SMN1; SMN2GAAALDH1A1PDK1
SCHEMBL15674183 0.84 KCNQ4 (0.40) KMT2AL3MBTL1ALDH1A1RXFP1EPHX2
SCHEMBL15689395 0.84 PRMT5 (0.35) SMN1; SMN2GAARXFP1EPHX2LMNA
SCHEMBL6651046 0.84 RXFP1 (0.39) KMT2ABRD4ALDH1A1RXFP1LMNA
SCHEMBL29019451 0.84 RXFP1 (0.41) KMT2AGAAALDH1A1RXFP1EPHX2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
CN-109219596-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-19 CN disclosed
CN-107848962-B Urea derivative or pharmacologically acceptable salt thereof 杏林制药株式会社 2021-04-09 CN disclosed
EP-2342194-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP disclosed
WO-2010052253-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 WO disclosed
EP-1140924-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000035915-A1 PIPERAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-06-22 WO disclosed