SCHEMBL22013863

SCHEMBL22013863

CC(C)(C)OC(=O)CCOc1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL18356861 0.92 KDM4E (0.46) MAPTALDH1A1KDM4ERAB9AMEN1
SCHEMBL17731988 0.92 KDM4E (0.46) MAPTALDH1A1KDM4ERAB9AMEN1
SCHEMBL25810589 0.89 HDAC8 (0.49) ALDH1A1KDM4ERAB9AL3MBTL1SMN1; SMN2
SCHEMBL25252447 0.84 ALDH1A1 (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6608349 0.83 ALDH1A1 (0.52) MAPTALDH1A1KDM4ERAB9AMEN1
SCHEMBL16713302 0.83 CYP1A2 (0.50) MAPTALDH1A1RAB9AMEN1NPC1
SCHEMBL23838039 0.83 PKM (0.56) ALDH1A1L3MBTL1
SCHEMBL18741349 0.82 L3MBTL1 (0.46) ALDH1A1L3MBTL1PPARDPPARALMNA
SCHEMBL4844769 0.82 KDM4E (0.53) MAPTALDH1A1KDM4ERAB9AMEN1
SCHEMBL20898309 0.81 MAPT (0.60) MAPTALDH1A1RAB9AMEN1NPC1

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
EP-3882246-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2021-09-22 EP disclosed
WO-2020098635-A1 MONOBACTAM COMPOUNDS AND USE THEREFOR 南京圣和药业股份有限公司 2020-05-22 WO disclosed