SCHEMBL21993364

SCHEMBL21993364

CC(O)C(N)C(O)C(C)CO

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL16074667 0.77
SCHEMBL13177029 0.77 TDP1 (0.36) TDP1TSHR
SCHEMBL12261886 0.77 TDP1 (0.36) TDP1TSHR
SCHEMBL14346962 0.76 TDP1 (0.53) TDP1TSHRLMNAL3MBTL1
SCHEMBL16074668 0.76 TDP1 (0.53) TDP1TSHRLMNAL3MBTL1
SCHEMBL22652150 0.76 TDP1 (0.40) TDP1TSHRLMNAL3MBTL1
SCHEMBL26317760 0.74 TDP1 (0.38) TDP1TSHR
SCHEMBL2509779 0.74 TSHR (0.44) TDP1TSHR
SCHEMBL15889663 0.74 TDP1 (0.50) TDP1TSHRLMNAL3MBTL1
SCHEMBL18271003 0.74 TDP1 (0.50) TDP1TSHRLMNAL3MBTL1

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-20200149062-A1 ENGINEERED TSC2 THE JOHNS HOPKINS UNIVERSITY 2020-05-14 US disclosed