SCHEMBL25276038

SCHEMBL25276038

CCC(N)CC(C)C.CCN(C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 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
SCHEMBL101928 0.81
SCHEMBL5027780 0.81
SCHEMBL15251619 0.81
SCHEMBL20283833 0.79
Hydrochloric Acid SCHEMBL6105178 0.78
SCHEMBL438244 0.75
Water SCHEMBL28817745 0.72
SCHEMBL28821646 0.72
Hydrochloric Acid SCHEMBL29255907 0.72
Bromide SCHEMBL11334148 0.72

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-2023111231-A1 A METHOD TO DEINK AND/OR TO DELAMINATE PLASTIC MATERIAL USING AN AMINE UNIVERSITEIT GENT (BE) 2023-06-22 WO disclosed