SCHEMBL7743899

SCHEMBL7743899

C=C(NC(C)=O)C(=O)NCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
KMT2A Q03164 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
TGFBR1 P36897 1/20 0.31
MCL1 Q07820 1/20 0.31
TAS2R38 P59533 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
FAAH O00519 1/20 0.30
PLAAT3 P53816 1/20 0.30
PLAAT5 Q96KN8 1/20 0.30
PLAAT2 Q9NWW9 1/20 0.30
PLAAT4 Q9UL19 1/20 0.30

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
SCHEMBL11961048 0.80 KMT2A (0.38) MMP1MMP2MMP3MMP9MMP8
SCHEMBL29225960 0.78 CRBN (0.41) CRBNTAS2R38KDM4E
SCHEMBL13052203 0.77 SMN1; SMN2 (0.33) MMP1MMP2MMP3MMP9MMP8
SCHEMBL14949 0.75
SCHEMBL20094516 0.75 ALDH1A1 (0.33) CACNA1CSCN5APLAAT3PLAAT5PLAAT2
SCHEMBL7748217 0.73 CRBN (0.38) CRBNTAS2R38KDM4E
Potassium SCHEMBL3659436 0.73
Ammonia Solution, Strong SCHEMBL7047319 0.73
Hydrochloric Acid SCHEMBL15846120 0.73
Hydrochloric Acid SCHEMBL6561920 0.71 TGFBR1 (0.42) MMP1MMP2MMP3MMP9MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6222083-B1 CONTACTING FLUID WITH INHIBITOR COMPRISING WATER-SOLUBLE POLYMER HAVING MONOMER UNITS SELECTED FROM ESTERS OF N-ACYLDEHYDROALANINE AND AMIDES OF N-ACYLDEHYDROALANINE FOR INHIBITING FORMATION CLATHRATE HYDRATES IN FLUID EXXONMOBIL UPSTREAM RESEARCH COMPANY 2001-04-24 US disclosed
WO-2001025372-A1 A METHOD FOR INHIBITING HYDRATE FORMATION EXXONMOBIL UPSTREAM RESEARCH COMPANY (US) 2001-04-12 WO disclosed