SCHEMBL6706561

SCHEMBL6706561

CCCCNCC(COc1nsnc1N1CCOCC1)OC(=O)/C=C\C(=O)OC(CNCCCC)COc1nsnc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
BLM P54132 1/20 0.54
CYP1A2 P05177 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
ADRB3 P13945 1/20 0.51
NFKB1 P19838 1/20 0.51
DRD1 P21728 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 2/20 0.47

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
SCHEMBL11418615 0.93 SMN1; SMN2 (0.58) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL21688913 0.85 SMN1; SMN2 (0.65) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
Fumaric Acid SCHEMBL6706562 0.84 BLM (0.73) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
Maleic Acid SCHEMBL6706559 0.84 BLM (0.73) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL1629066 0.84 SMN1; SMN2 (0.72) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL2519561 0.84 SMN1; SMN2 (0.72) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL21688483 0.84 SMN1; SMN2 (0.72) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL12723230 0.83 CYP1A2 (0.69) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL9393149 0.83 CYP1A2 (0.69) SMN1; SMN2BLMCYP1A2ADRB2ADRB1
SCHEMBL22260649 0.82 SMN1; SMN2 (0.60) SMN1; SMN2BLMCYP1A2ADRB2ADRB1

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-1443901-A2 SOLUBLE DRUG EXTENDED RELEASE SYSTEM Yamanouchi Pharma Technologies, Inc. (US) 2004-08-11 EP disclosed
US-20040091528-A1 Soluble drug extended release system YAMANOUCHI PHARMA TECHNOLOGIES, INC. 2004-05-13 US disclosed
WO-2003041656-A2 SOLUBLE DRUG EXTENDED RELEASE SYSTEM YAMANOUCHI PHARMA TECHNOLOGIES, INC. (US) 2003-05-22 WO disclosed