SCHEMBL28465729

SCHEMBL28465729

CCOC(=O)CC(C)OC1(C)COC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 6/20 0.33
TSHR P16473 5/20 0.33
LMNA P02545 2/20 0.33
TRPA1 O75762 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 3/20 0.33
CYP3A4 P08684 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
UGT2B7 P16662 2/20 0.32
CYP2D6 P10635 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KMT2A Q03164 2/20 0.32
CHRM1 P11229 1/20 0.32
ADORA1 P30542 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 2/20 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
SCHEMBL6056335 0.78 CYP3A4 (0.40) GAAALDH1A1TSHRLMNAPOLB
SCHEMBL6070490 0.75 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5367104 0.73 TSHR (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19123842 0.72 MGAM (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL14790423 0.69 MGAM (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2943133 0.69 MGAM (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5692410 0.69 MGAM (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20816251 0.69 CYP3A4 (0.41) GAAALDH1A1TSHRLMNACYP3A4
SCHEMBL15231719 0.68 L3MBTL1 (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19124063 0.68 ALDH1A1 (0.37) GAAMGAMSIMGAM2ALDH1A1

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
CN-111788208-A Talanstatin analogs PH制药有限公司 2020-10-16 CN disclosed