SCHEMBL21553552

SCHEMBL21553552

CSC(=O)CCSSCCC=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.35
HDAC2 Q92769 3/20 0.32
HIF1A Q16665 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL21548083 0.78 LMNA (0.44) TDP1TSHRLMNAHDAC2HDAC3
SCHEMBL18083835 0.78 TSHR (0.65) TDP1TSHRLMNAHDAC2
SCHEMBL18937913 0.74 TSHR (0.40) TDP1TSHRLMNAHDAC2
SCHEMBL6536912 0.74 TDP1 (0.56) TDP1TSHRHDAC2HIF1A
Glutaral SCHEMBL2258172 0.71 TSHR (0.62) TDP1TSHRLMNAHDAC2HIF1A
SCHEMBL26737546 0.69 HDAC2 (0.54) TDP1TSHRLMNAHDAC2HDAC3
SCHEMBL28409672 0.69
SCHEMBL11427476 0.69
SCHEMBL12126147 0.69
SCHEMBL9143482 0.68 ALDH1A1 (0.35) TDP1TSHRLMNA

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
EP-2895200-B1 MULTIMERIC OLIGONUCLEOTIDE COMPOUNDS TRANSLATE BIO MA INC (US) 2019-11-06 EP disclosed