SCHEMBL6409088

SCHEMBL6409088

O=C(CCCCCCCCCCCCCCCCCO)OCCOCC(O)CO

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
DUSP3 P51452 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.55
DGKA P23743 2/20 0.48
USP2 O75604 1/20 0.45
CNR2 P34972 4/20 0.44
FAAH O00519 2/20 0.40
MAPT P10636 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL16898748 0.89 LMNA (0.54) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL27510080 0.88 KDM4E (0.74) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL4373222 0.88 KDM4E (0.74) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL28215278 0.87 KDM4E (0.55) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL3975355 0.87 LMNA (0.51) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL26715716 0.86 KDM4E (0.72) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL11350235 0.86 KDM4E (0.72) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL11400551 0.86 LMNA (0.50) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL27654683 0.86 KDM4E (0.71) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL29854252 0.85 KDM4E (0.70) KDM4EDUSP3MEN1KMT2ALMNA

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
US-20230390216-A1 BROMHEXINE FOR THE TREATMENT OF PAIN KERN KAI UWE (DE) 2023-12-07 US disclosed
EP-3638223-B1 BROMHEXINE FOR THE TREATMENT OF PAIN KERN KAI UWE (DE) 2023-10-25 EP disclosed
US-11759439-B2 Bromhexine for the treatment of pain KERN KAI UWE (DE) 2023-09-19 US disclosed
US-20200197330-A1 BROMHEXINE FOR THE TREATMENT OF PAIN KERN KAI UWE (DE) 2020-06-25 US disclosed
EP-3638223-A1 BROMHEXINE FOR THE TREATMENT OF PAIN Kern, Kai-Uwe (DE) 2020-04-22 EP disclosed
WO-2018229119-A1 BROMHEXINE FOR THE TREATMENT OF PAIN KERN KAI UWE (DE) 2018-12-20 WO disclosed
EP-3415143-A1 BROMHEXINE FOR THE TREATMENT OF PAIN Kern, Kai-Uwe (DE) 2018-12-19 EP disclosed
US-20050266058-A1 Topical preparations containing ambroxol BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed