SCHEMBL8963106

SCHEMBL8963106

O=C(O)NC(=O)OCCOC(=O)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TSHR P16473 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRNB2 P17787 1/20 0.34
NFKB1 P19838 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 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
SCHEMBL27393398 0.85 ACHE (0.43) ACHESMN1; SMN2MAPK1LMNAMGAM
SCHEMBL590531 0.81 EPHX1 (0.53) ACHERAB9ATSHREPHX1NPSR1
SCHEMBL697911 0.80
SCHEMBL12487443 0.79 ACHE (0.35) ACHESMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL9459327 0.78 EPHX1 (0.66) ACHETSHREPHX1
SCHEMBL9459137 0.78 EPHX1 (0.66) ACHETSHREPHX1
SCHEMBL9459205 0.78 EPHX1 (0.66) ACHETSHREPHX1
SCHEMBL9459326 0.78 EPHX1 (0.66) ACHETSHREPHX1
SCHEMBL27904990 0.78 MAPT (0.42) ACHESMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL1607872 0.74 CRBN (0.39) ACHESMN1; SMN2RAB9ATSHRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451953-B1 Process for the preparation of polyether amides from mixed amines HUNTSMAN CORP (US) 1996-02-14 EP disclosed
US-5118785-A PREPARATION OF POLYETHER AMIDE FROM TETRAETHYLENE GLYCOL DIAMINE AND TEREPHTHALIC ACID TEXACO CHEMICAL COMPANY (US) 1992-06-02 US disclosed
EP-0451951-A2 Polyether amide from tetraethylene glycol diamine and terephthalic acid TEXACO CHEMICAL COMPANY (US) 1991-10-16 EP disclosed
EP-0451953-A2 Process for the preparation of polyether amides from mixed amines Huntsman Corporation (US) 1991-10-16 EP disclosed
US-5053484-A POLYETHER AMIDE FROM MIXTURE OF POLYETHER DIAMINE TEXACO CHEMICAL COMPANY (US) 1991-10-01 US disclosed