SCHEMBL4049386

SCHEMBL4049386

N#CCC(=O)N(C(N)=O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
DPP4 P27487 2/20 0.36
ALOX5 P09917 3/20 0.35
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL22729195 0.76 ALOX5 (0.43) ALOX5
SCHEMBL11816062 0.76 KMT2A (0.40) DPP4POLBGAATDP1ALDH1A1
SCHEMBL6827765 0.74 ALOX5 (0.45) ALOX5
SCHEMBL3364006 0.73 ALDH1A1 (0.51) POLBALDH1A1JAK2JAK3KMT2A
SCHEMBL4046183 0.71 NAAA (0.38) MCL1DPP4CTSBCTSSCTSK
SCHEMBL9427230 0.69 KMT2A (0.46) POLBGAATDP1ALDH1A1KMT2A
SCHEMBL1957147 0.69 ALOX5 (0.41) ALOX5ALDH1A1KMT2AMEN1
SCHEMBL28378426 0.68 ENPP2 (0.49) ALDH1A1CTSBCTSSCTSKKMT2A
SCHEMBL11716231 0.68 DPP4 (0.42) DPP4ALOX5ALDH1A1
SCHEMBL28496043 0.67 ALOX5 (0.39) ALOX5POLBALDH1A1

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
EP-1713815-A4 PTH AGONISTS SMITHKLINE BEECHAM CORP (US) 2009-03-11 EP disclosed
EP-1713815-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005077959-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed