SCHEMBL29328581

SCHEMBL29328581

C=CC(N)CCC(C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
CYP2D6 P10635 2/20 0.39
NFKB1 P19838 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
BLM P54132 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.34
THPO P40225 1/20 0.34
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL18822214 0.80
SCHEMBL19356014 0.78
SCHEMBL5163982 0.78
SCHEMBL22811900 0.77 SLC6A2 (0.39) TSHRCYP2D6NFKB1SLC6A2SLC6A4
SCHEMBL21914945 0.77 TSHR (0.35) TSHRCYP2D6NFKB1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8152072 0.75
Hydrochloric Acid SCHEMBL8152067 0.75
SCHEMBL11056121 0.75
SCHEMBL14875499 0.74 TSHR (0.41) TSHRCYP2D6NFKB1ALDH1A1MAPK1
SCHEMBL20245850 0.72 TSHR (0.53) TSHRCYP2D6NFKB1ALDH1A1MAPK1

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-2024151772-A2 POLYNUCLEIC ACID MOLECULES FOR INHIBITING EXPRESSION OF ANGPTL3, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF SIRIUS THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed