SCHEMBL8799592

SCHEMBL8799592

COC(=O)c1ccccc1CCCOC(Cc1ccccc1CCCCCCOC1CCCCO1)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A3 Q01959 4/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4C Q9H3R0 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
SCHEMBL9121368 0.88 MEN1 (0.43) MEN1KMT2ASLC6A3ADORA3KDM4C
SCHEMBL8799817 0.87 MEN1 (0.43) MEN1KMT2ASLC6A3ADORA3HPGD
SCHEMBL8799956 0.86 MEN1 (0.42) MEN1KMT2ASLC6A3ADORA3HPGD
SCHEMBL9120035 0.86 MEN1 (0.42) MEN1KMT2ASLC6A3ADORA3HPGD
SCHEMBL9120024 0.86 CYP4F2 (0.44) MEN1KMT2ASLC6A3ADORA3SMN1; SMN2
SCHEMBL9121608 0.86 CYP4F2 (0.44) MEN1KMT2ASLC6A3ADORA3SMN1; SMN2
SCHEMBL9120025 0.86 MEN1 (0.41) MEN1KMT2ASLC6A3ADORA3HPGD
SCHEMBL8463856 0.86 CYP4F2 (0.41) MEN1KMT2ASLC6A3ADORA3SMN1; SMN2
SCHEMBL9120971 0.86 CYP4F2 (0.44) MEN1KMT2ASLC6A3ADORA3SMN1; SMN2
Methane SCHEMBL8799260 0.84 MEN1 (0.40) MEN1KMT2ASLC6A3ALDH1A1ADORA3

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