SCHEMBL3974964

SCHEMBL3974964

O=C(O)C1CCCC(C(=O)O)C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
PEPD P12955 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SIRT1 Q96EB6 1/20 0.30
SLC6A1 P30531 2/20 0.30
SLC6A11 P48066 1/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLC6A13 Q9NSD5 1/20 0.30

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
SCHEMBL4078884 0.88 ALDH1A1 (0.32) MCL1L3MBTL1POLBKDM4ETP53
SCHEMBL11738399 0.84 MAPK1 (0.33) MCL1L3MBTL1TP53
SCHEMBL4804594 0.84 ALDH1A1 (0.33) MCL1ALDH1A1
SCHEMBL4077712 0.76 SIRT1 (0.35) MCL1L3MBTL1KDM4ESIRT1
SCHEMBL932332 0.74
SCHEMBL22468834 0.74
SCHEMBL9289233 0.72 TSHR (0.35) ALDH1A1SLC6A1SLC6A11TSHRLMNA
SCHEMBL15659956 0.72 MCL1 (0.65) MCL1L3MBTL1POLBTP53GAA
SCHEMBL3553694 0.72 MCL1 (0.60) MCL1L3MBTL1POLBKDM4E
SCHEMBL28635174 0.72 CA1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed
WO-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed
WO-2007051255-A1 PROCESS FOR THE PREPARATION OF COMPOUNDS CONTAINING AN AZACYCLIC RING SYSTEM THE UNIVERSITY OF SYDNEY (AU) 2007-05-10 WO disclosed
US-5407966-A Recyclable thermoplastic foam with a high glass transition temperature II BAYER AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed
US-3976677-A Process for carboxylating organic substrates with carbon dioxide in hydrocarbon solvents MONTEDISON S.P.A. (IT) 1976-08-24 US disclosed