SCHEMBL8047159

SCHEMBL8047159

N#CCc1ccc(OCCOCCBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
APP P05067 8/20 0.39
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL17215124 0.86 GAA (0.43) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL31570130 0.83 ALDH3A1 (0.39) KMT2AGAAL3MBTL1MMP3
SCHEMBL28930709 0.81 PRMT1 (0.40) GAAKCNH2
SCHEMBL9570661 0.78 HRH3 (0.44) GAA
SCHEMBL5514418 0.78 HRH3 (0.44) GAA
SCHEMBL6565852 0.77 PKM (0.43) MAPTAPPALDH1A1GAAL3MBTL1
SCHEMBL6574603 0.77 GAA (0.56) MAPTALDH1A1KMT2AGAAL3MBTL1
SCHEMBL21876766 0.76 NPC1 (0.59) SMN1; SMN2NPC1MAPTRAB9AMAPK1
SCHEMBL21876544 0.76 NPC1 (0.59) SMN1; SMN2NPC1MAPTRAB9AMAPK1
SCHEMBL21876667 0.76 NPC1 (0.59) SMN1; SMN2NPC1MAPTRAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000229932-A AB2 POLYMERIZABLE COMPOUND HAVING ACTIVE METHYLENE TYPE OXYALKYLENE RESIDUE AND POLYALKYLENE OXIDE POLYBRANCHED POLYMER KAWAMURA INST OF CHEM RES 2000-08-22 JP disclosed