SCHEMBL4956715

SCHEMBL4956715

COc1ccc(C(OC[C@H]2O[C@@H](O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
TYMP P19971 1/20 0.44
PTPN1 P18031 1/20 0.41
CA12 O43570 4/20 0.40
CA9 Q16790 4/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 2/20 0.40
SLC6A1 P30531 2/20 0.40
SLC6A11 P48066 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KIF11 P52732 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL23778463 0.88 TSHR (0.44) TSHRTYMPPTPN1SLC6A1SLC6A11
SCHEMBL15512670 0.85 TSHR (0.44) TSHRPTPN1CA12CA9CA1
SCHEMBL4287805 0.83 CYP3A4 (0.41) TSHRTYMPPTPN1SLC6A1SLC6A11
SCHEMBL7025660 0.82 TSHR (0.51) TSHRPTPN1CA12CA9CA1
SCHEMBL18343982 0.81 TSHR (0.50) TSHRCYP2D6ALDH1A1KMT2A
SCHEMBL22033902 0.81 TSHR (0.39) TSHRTYMPCA12CA9CA1
SCHEMBL9393500 0.81 TSHR (0.50) TSHRCYP2D6ALDH1A1KMT2A
SCHEMBL22033884 0.81 TSHR (0.39) TSHRTYMPCA12CA9CA1
SCHEMBL14278404 0.81 TSHR (0.52) TSHRCA12CA1CA2CYP2D6
SCHEMBL2454848 0.81 TSHR (0.52) TSHRCA12CA1CA2CYP2D6

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
WO-2008131419-A2 GLYCOCONJUGATES OF RNA INTERFERENCE AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2008-10-30 WO disclosed