SCHEMBL8551036

SCHEMBL8551036

COC(=O)COc1ccc2cc(OC[C@@H](O)CCc3cccnc3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NAMPT P43490 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
CYP26A1 O43174 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
PTAFR P25105 4/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GPR132 Q9UNW8 1/20 0.40

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
SCHEMBL8481177 1.00 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL8476796 0.87 ALDH1A1 (0.45) ALDH1A1LMNAMAPTHTTNAMPT
SCHEMBL8551329 0.87 ALDH1A1 (0.45) ALDH1A1LMNAMAPTHTTNAMPT
SCHEMBL8479757 0.84 POLB (0.52) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL8479934 0.82 ADRB1 (0.45) ALDH1A1NAMPTMEN1KMT2AADRB1
SCHEMBL7964059 0.81 CYP3A4 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL8477139 0.81 ALOX5 (0.49) SMN1; SMN2ALDH1A1LMNANAMPTMEN1
SCHEMBL8480213 0.81 ALOX5 (0.49) SMN1; SMN2ALDH1A1LMNANAMPTMEN1
SCHEMBL7963443 0.81 CYP3A4 (0.52) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL7954714 0.81 TBXAS1 (0.49) ALDH1A1NAMPTMEN1KMT2AADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed