SCHEMBL16358149

SCHEMBL16358149

COC(=O)CCC(=O)OC1C2O[C@H](C1O)[C@@H]1C(=O)N(c3ccccc3)C(=O)C21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 3/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
LGALS8 O00214 1/20 0.35

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
SCHEMBL1104570 1.00 ATM (0.39) ATMALDH1A1TSHRUSP2MAPT
SCHEMBL1104567 0.90 ATM (0.40) ATMALDH1A1TSHRUSP2MAPT
SCHEMBL13743882 0.86 ALDH1A1 (0.39) ATMALDH1A1TSHRUSP2MAPT
SCHEMBL10188814 0.85 CYP3A4 (0.39) ATMALDH1A1TSHRUSP2MAPT
SCHEMBL13325754 0.82 ATM (0.39) ATMALDH1A1TSHRUSP2MAPT
SCHEMBL1104566 0.82 ATM (0.48) ATMALDH1A1TSHRMAPTL3MBTL1
SCHEMBL18356894 0.80 MAPT (0.36) ALDH1A1MAPTGAAPOLBTDP1
SCHEMBL20371029 0.79 ALDH1A1 (0.41) ATMALDH1A1TSHRUSP2MAPT
SCHEMBL20380432 0.79 ALDH1A1 (0.41) ATMALDH1A1TSHRUSP2MAPT
SCHEMBL14827501 0.77 ALDH1A1 (0.39) ATMALDH1A1TSHRUSP2MAPT

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-2013033230-A1 OLIGOMER-CONJUGATE COMPLEXES AND THEIR USE ISIS PHARMACEUTICALS, INC. (US) 2013-03-07 WO disclosed