SCHEMBL22294657

SCHEMBL22294657

CCC(C)CCCCCCCCCCCCCCCC#N

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.35
ACE2 Q9BYF1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 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
SCHEMBL28676555 1.00 TSHR (0.46) TSHRLMNAACE2ALDH1A1TDP1
SCHEMBL26318514 0.90
SCHEMBL18756386 0.90
SCHEMBL22296768 0.84 TSHR (0.56) TSHRLMNAACE2
SCHEMBL18896299 0.84 TSHR (0.56) TSHRLMNAACE2
SCHEMBL19077679 0.84 TSHR (0.56) TSHRLMNAACE2
SCHEMBL13067947 0.84 TSHR (0.56) TSHRLMNAACE2
SCHEMBL21091821 0.84 TSHR (0.56) TSHRLMNAACE2
SCHEMBL13068259 0.84 TSHR (0.56) TSHRLMNAACE2
SCHEMBL31076284 0.84 TSHR (0.56) TSHRLMNAACE2

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-3463294-B1 COMPOSITIONS IN THE FORM OF AN INJECTABLE AQUEOUS SOLUTION, COMPRISING HUMAN GLUCAGON AND A STATISTICAL COPOLYAMINO ACID ADOCIA (FR) 2020-08-05 EP disclosed