SCHEMBL27991817

SCHEMBL27991817

CCCCNC(=O)C(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
DPP7 Q9UHL4 2/20 0.47
EPHX1 P07099 6/20 0.47
MMP8 P22894 1/20 0.45
LMNA P02545 1/20 0.44
PAX8 Q06710 1/20 0.44
ACHE P22303 3/20 0.44
MMP2 P08253 1/20 0.44
NAAA Q02083 2/20 0.44
RRM1 P23921 1/20 0.43
ALOX15 P16050 1/20 0.42

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
SCHEMBL10629970 0.94 FNTA (0.56) FNTAFNTBSMN1; SMN2DPP7EPHX1
SCHEMBL766293 0.82 PAOX (0.44) FNTAFNTBDPP7RRM1
SCHEMBL6281513 0.81 DPP7 (0.42) FNTAFNTBSMN1; SMN2DPP7EPHX1
SCHEMBL10769236 0.81 EPHX1 (0.61) FNTAFNTBDPP7EPHX1MMP8
SCHEMBL224484 0.80 EPHX1 (0.52) DPP7EPHX1MMP8ACHEMMP2
SCHEMBL30723247 0.79 FNTA (0.45) FNTAFNTBSMN1; SMN2DPP7EPHX1
SCHEMBL15944486 0.79 TSHR (0.49) DPP7EPHX1MMP8ACHE
SCHEMBL8815679 0.78 MEN1 (0.55) DPP7EPHX1MMP8ACHEMMP2
SCHEMBL8374607 0.78 EPHX1 (0.50) DPP7EPHX1MMP8ACHEMMP2
SCHEMBL5821091 0.78 FNTA (0.56) FNTAFNTBSMN1; SMN2DPP7EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186866-B Method for producing mono amino-functionalised dialkylphosphinite acids esters and salts and use thereof CLARIANT INT LTD 2015-04-29 CN disclosed
CN-102171228-B Method for producing mono-hydroxy-functionalized dialkylphosphinic acids, esters and salts by means of vinyl esters of carboxylic acids and use thereof CLARIANT FINANCE BVI LTD 2015-03-25 CN disclosed
CN-102171230-B Hydrophosphorylation of phosphonous acid derivatives for flame retardants CLARIANT BVI LTD 2015-01-07 CN disclosed