SCHEMBL8661002

SCHEMBL8661002

COCCOCCOCCN1CC(O)CC1COC(c1ccccc1)(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A1 P30531 4/20 0.33
GBA1 P04062 1/20 0.32
UGCG Q16739 1/20 0.32
GBA2 Q9HCG7 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A11 P48066 1/20 0.32
DRD2 P14416 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
TK2 O00142 1/20 0.31

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
SCHEMBL8662934 0.84 SLC6A1 (0.33) SLC6A1SLC6A11HTT
SCHEMBL8661014 0.83 MAPT (0.38) MEN1MAPTKMT2ACHRM3
SCHEMBL8660375 0.79 SLC6A1 (0.36) SMN1; SMN2SLC6A1MEN1KMT2ASLC6A11
SCHEMBL8659948 0.78 TSHR (0.35) TSHRSLC6A1MEN1KMT2ASLC6A11
SCHEMBL8662709 0.76 MTNR1B (0.37) TP53ALOX15TSHRMAPK1SLC6A1
SCHEMBL8662093 0.76 PIK3CD (0.35) SMN1; SMN2SLC6A1MEN1KMT2ASLC6A11
SCHEMBL8661342 0.76 ALDH1A1 (0.35) CYP3A4SMN1; SMN2SLC6A1MEN1GAA
SCHEMBL6858148 0.75 ITGA4 (0.39) TP53ALOX15MEN1KMT2A
SCHEMBL8661541 0.75 SLC6A1 (0.34) TP53ALOX15TSHRMAPK1SLC6A1
SCHEMBL8661019 0.74 LMNA (0.38) MAPTDRD2OPRM1DRD3

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
US-5714606-A OLIGONUCLEOTIDE HAVING RECEPTOR BINDING SITES; ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS, MEDICAL DIAGNOSIS ISIS PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed