SCHEMBL13059619

SCHEMBL13059619

COC(=O)CC(C)(O)CC(C)(C)N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
HSD17B10 Q99714 3/20 0.34
HMGCR P04035 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TET2 Q6N021 1/20 0.33
RECQL P46063 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
SLC1A1 P43005 1/20 0.30

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
SCHEMBL13059616 0.83 TSHR (0.40) TSHRHSD17B10HMGCRCHRM1TBXA2R
SCHEMBL7047649 0.82 HMGCR (0.50) TSHRHSD17B10HMGCRCHRM1TBXA2R
SCHEMBL11395424 0.81 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL74039 0.80
SCHEMBL13059617 0.79 TSHR (0.37) TSHRHSD17B10HMGCRCHRM1TBXA2R
Hydrochloric Acid SCHEMBL74284 0.78 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL11422035 0.77 HMGCR (0.41) TSHRHSD17B10HMGCRCHRM1TBXA2R
SCHEMBL18751330 0.76 TSHR (0.42) TSHRHSD17B10HMGCRCHRM1TBXA2R
SCHEMBL15944462 0.74 HMGCR (0.68) TSHRHSD17B10HMGCRCHRM1TBXA2R
SCHEMBL17301670 0.74 MGAM (0.48) TSHRHSD17B10HMGCRCHRM1TBXA2R

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
US-7842687-B2 Natural, synthetic or semi-synthetic crude harringtonines purified by chromatography and crystallization in which the solvent is water or lower C1-4 alkanol or an aqueous mixture of organic solvents; treatment of cancer through oral administration CHEMGENEX PHARMACEUTICALS, INC. (AU) 2010-11-30 US disclosed
US-7169774-B2 Cephalotaxane derivatives and their processes of preparation and purification STRAGEN PHARMA S.A. (CH) 2007-01-30 US disclosed