SCHEMBL8340573

SCHEMBL8340573

OB(O)c1ccccc1OCCOC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LIPE Q05469 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ENPP2 Q13822 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.34
SLC6A3 Q01959 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL12510434 0.82 MEN1 (0.49) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL29955467 0.81 ENPP2 (0.43) KDM4CMEN1KMT2ALIPEENPP2
SCHEMBL1683258 0.81 ENPP2 (0.43) KDM4CMEN1KMT2ALIPEENPP2
SCHEMBL12634797 0.81 ALDH1A1 (0.55) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL772517 0.81 KDM4C (0.50) KDM4CMEN1KMT2ALIPEL3MBTL1
SCHEMBL12634794 0.81 KDM4C (0.47) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL1345450 0.80 KDM4C (0.49) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL871773 0.79 KMT2A (0.55) KDM4CMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8295420 0.78 ALDH1A1 (0.52) KDM4CMEN1KMT2AALDH1A1KDM4E
SCHEMBL772662 0.78 KDM4C (0.47) KDM4CMEN1KMT2AL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866568-A ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY ZENECA LIMITED (GB) 1999-02-02 US disclosed