SCHEMBL1459059

SCHEMBL1459059

O=[C]NC(CCCCC(=O)NCCNC(=O)CCN1C(=O)CCC1=O)N[C]=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
ALPL P05186 1/20 0.36
MAPT P10636 2/20 0.35
HSD17B10 Q99714 4/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL2223882 0.80 SMN1; SMN2 (0.49) SMN1; SMN2HPGDHTTALDH1A1LMNA
SCHEMBL4394320 0.79 SMN1; SMN2 (0.39) SMN1; SMN2HPGDHTTALDH1A1LMNA
SCHEMBL18950573 0.73 LMNA (0.55) SMN1; SMN2HPGDHTTALDH1A1LMNA
SCHEMBL16330014 0.72 SMN1; SMN2 (0.54) SMN1; SMN2HPGDHTTALDH1A1LMNA
SCHEMBL12855219 0.72 HTT (0.54) SMN1; SMN2HPGDHTTALDH1A1POLB
SCHEMBL22422905 0.72 SMN1; SMN2 (0.61) SMN1; SMN2HPGDHTTALDH1A1LMNA
SCHEMBL1257325 0.72 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTALDH1A1POLB
SCHEMBL14934677 0.72 HTT (0.52) SMN1; SMN2HPGDHTTALDH1A1LMNA
SCHEMBL12713662 0.71 SMN1; SMN2 (0.52) SMN1; SMN2HPGDHTTALDH1A1POLB
SCHEMBL19401301 0.71 HPGD (0.56) SMN1; SMN2HPGDHTTALDH1A1POLB

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-2480661-A1 BACTERIAL HOST STRAIN UCB Pharma, S.A. (BE) 2012-08-01 EP disclosed
WO-2011036454-A1 BACTERIAL HOST STRAIN UCB PHARMA S.A. (BE) 2011-03-31 WO disclosed
WO-2011036455-A1 BACTERIAL STRAIN FOR RECOMBINANT PROTEIN EXPRESSION, HAVING PROTEASE DEFICIENT DEGP RETAINING CHAPERONE ACTIVITY, AND KNOCKED OUT TSP AND PTR GENES UCB PHARMA S.A. (BE) 2011-03-31 WO disclosed