SCHEMBL6444724

SCHEMBL6444724

CCOC(=O)CCC(=O)OCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.59
CTNNB1 P35222 1/20 0.59
HTR2A P28223 1/20 0.52
MAPT P10636 6/20 0.51
GAA P10253 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MGLL Q99685 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPK1 P28482 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL29189078 0.93 BCL9 (0.59) BCL9CTNNB1HTR2AMAPTGAA
SCHEMBL6577540 0.90 BCL9 (0.74) BCL9CTNNB1HTR2AMAPTGAA
SCHEMBL15548469 0.89 BCL9 (0.56) BCL9CTNNB1HTR2AMAPTGAA
SCHEMBL29189081 0.88 BCL9 (0.54) BCL9CTNNB1HTR2AMAPTGAA
SCHEMBL5762656 0.87 BCL9 (0.60) BCL9CTNNB1HTR2AMAPTGAA
SCHEMBL278663 0.87 BCL9 (0.62) BCL9CTNNB1HTR2AMAPTGAA
SCHEMBL6395955 0.87 BCL9 (0.60) BCL9CTNNB1HTR2AMAPTGAA
SCHEMBL4644859 0.86 BCL9 (0.58) BCL9CTNNB1HTR2AMAPTGAA
SCHEMBL31331481 0.86 BCL9 (0.59) BCL9CTNNB1HTR2AMAPTGAA
SCHEMBL31629546 0.86 BCL9 (0.59) BCL9CTNNB1HTR2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897236-B1 Aminobenzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 2005-05-24 US disclosed
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP disclosed
EP-1202959-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-05-08 EP disclosed
WO-2001005749-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-01-25 WO disclosed