SCHEMBL10896403

SCHEMBL10896403

C#CC(N)CCC(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
MAPT P10636 2/20 0.59
CYP2D6 P10635 1/20 0.59
NFKB1 P19838 1/20 0.59
SLC1A1 P43005 1/20 0.47
TSHR P16473 4/20 0.46
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL11075984 0.98 LMNA (0.57) LMNAMAPTCYP2D6NFKB1SLC1A1
Hydrochloric Acid SCHEMBL10962020 0.98 LMNA (0.57) LMNAMAPTCYP2D6NFKB1SLC1A1
SCHEMBL9192029 0.82 SLC1A1 (0.49) LMNAMAPTCYP2D6NFKB1SLC1A1
Hydrochloric Acid SCHEMBL10896652 0.79 LMNA (0.53) LMNAMAPTCYP2D6NFKB1TSHR
SCHEMBL18072538 0.79
Hydrochloric Acid SCHEMBL28574258 0.78 LMNA (0.41) LMNAMAPTCYP2D6NFKB1SLC1A1
Hydrochloric Acid SCHEMBL28574257 0.78 LMNA (0.41) LMNAMAPTCYP2D6NFKB1SLC1A1
Hydrochloric Acid SCHEMBL28574643 0.78 LMNA (0.41) LMNAMAPTCYP2D6NFKB1SLC1A1
SCHEMBL28993061 0.78 TSHR (0.48) LMNAMAPTCYP2D6NFKB1SLC1A1
SCHEMBL13329475 0.78 TSHR (0.48) LMNAMAPTCYP2D6NFKB1SLC1A1

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-4582529-A PRE-AND POST- EMERGENCE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY 1986-04-15 US disclosed