SCHEMBL8798769

SCHEMBL8798769

COC(=O)C(O)Cc1ccccc1CCCCCCOC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A3 Q01959 7/20 0.42
KDM4C Q9H3R0 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 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
SCHEMBL9120035 0.85 MEN1 (0.42) MEN1KMT2ASLC6A3KDM4CADORA3
SCHEMBL9121368 0.83 MEN1 (0.43) MEN1KMT2ASLC6A3KDM4CADORA3
SCHEMBL8799817 0.82 MEN1 (0.43) MEN1KMT2ASLC6A3KDM4CADORA3
SCHEMBL8799592 0.82 MEN1 (0.42) MEN1KMT2ASLC6A3KDM4CADORA3
SCHEMBL8799956 0.82 MEN1 (0.42) MEN1KMT2ASLC6A3KDM4CADORA3
SCHEMBL9120024 0.81 CYP4F2 (0.44) MEN1KMT2ASLC6A3ADORA3
SCHEMBL9120971 0.81 CYP4F2 (0.44) MEN1KMT2ASLC6A3ADORA3
SCHEMBL8463856 0.81 CYP4F2 (0.41) MEN1KMT2ASLC6A3ADORA3
SCHEMBL9121608 0.81 CYP4F2 (0.44) MEN1KMT2ASLC6A3ADORA3
SCHEMBL9120025 0.81 MEN1 (0.41) MEN1KMT2ASLC6A3KDM4CADORA3

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-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO disclosed