SCHEMBL7370951

SCHEMBL7370951

O=C(COCCN1CCCCC1)CC(=O)OCCOc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HRH3 Q9Y5N1 14/20 0.60
KDM4E B2RXH2 1/20 0.55
LTA4H P09960 2/20 0.54
PTGS2 P35354 1/20 0.54

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
SCHEMBL7364513 0.88 KDM4E (0.59) HRH3KDM4ELTA4H
SCHEMBL7371432 0.81 KDM4E (0.62) MEN1KMT2AHRH3KDM4E
SCHEMBL7368858 0.79 HRH3 (0.52) HRH3KDM4ELTA4H
SCHEMBL7370485 0.78 MAPT (0.54) KMT2AHRH3KDM4ELTA4H
SCHEMBL7906481 0.77 SMN1; SMN2 (0.62) MEN1KMT2AHRH3KDM4ELTA4H
SCHEMBL7373567 0.77 SMN1; SMN2 (0.62) MEN1KMT2AHRH3KDM4ELTA4H
SCHEMBL14970686 0.77 LTA4H (0.87) MEN1KMT2AHRH3LTA4HPTGS2
SCHEMBL5438744 0.77 LTA4H (0.87) MEN1KMT2AHRH3LTA4HPTGS2
SCHEMBL7383210 0.76 ALDH1A1 (0.64) MEN1KMT2AHRH3KDM4ELTA4H
SCHEMBL28285426 0.76 HRH3 (0.88) MEN1KMT2AHRH3LTA4HPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057332-A Substituted 1,4-dihydropyrimidine-5-carboxylate compounds, their preparation and uses ASTRA AKTIEBOLAG (SE) 2000-05-02 US disclosed
EP-0994859-A1 COMPOUNDS Astra Aktiebolag (publ) (SE) 2000-04-26 EP disclosed
WO-1999001437-A1 COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1999-01-14 WO disclosed