SCHEMBL8024597

SCHEMBL8024597

O=C(O)CNNCCSCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 2/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
CYP2C19 P33261 1/20 0.40
BHMT Q93088 1/20 0.37
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
MVD P53602 1/20 0.34
TSHR P16473 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL7721691 0.80 CYP2D6 (0.48) CYP2D6HIF1AHSD17B10GMNNTP53
SCHEMBL7720625 0.78 CYP2D6 (0.46) CYP2D6HIF1AHSD17B10GMNNTP53
SCHEMBL31579407 0.77 CYP2D6 (0.55) CYP2D6HIF1AHSD17B10GMNNTP53
SCHEMBL18653784 0.73
SCHEMBL1313188 0.72 CYP2D6 (0.73) CYP2D6HIF1AHSD17B10GMNNTP53
SCHEMBL8352247 0.72 LDHA (0.50) CYP2D6MAPTCYP2C19TSHRTDP1
Hydrochloric Acid SCHEMBL2863350 0.71 CYP2D6 (0.48) CYP2D6HIF1AHSD17B10GMNNTP53
Ammonia Solution, Strong SCHEMBL10936270 0.70 CYP2D6 (0.69) CYP2D6HIF1AHSD17B10GMNNTP53
Hydrochloric Acid SCHEMBL11144119 0.70 CYP2D6 (0.69) CYP2D6HIF1AHSD17B10GMNNTP53
SCHEMBL8667121 0.70 CYP2D6 (0.69) CYP2D6HIF1AHSD17B10GMNNTP53

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-6139973-A THIN SULFURIZING LAYER HAVING HIGH IRON-SULFIDE CONTENT IS FORMED BY AN ELECTROLYTIC DEPOSITION METHOD USING AN ALKALINE ELECTROLYTIC SOLUTION WHICH CONTAINS FERRIC IONS, SULFIDE AND A CHELATING AGENT OF THE FERRIC IONS. NIHON PARKERIZING CO., LTD (JP) 2000-10-31 US disclosed