SCHEMBL9251101

SCHEMBL9251101

C/C=C(/C=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
CA2 P00918 1/20 0.38
GLA P06280 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9251104 1.00 SMN1; SMN2 (0.46) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL21504070 0.79 TSHR (0.43) SMN1; SMN2CA12CA1CA9TSHR
SCHEMBL12408140 0.78 ATM (0.37) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL17934675 0.77 MAPT (0.44) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL5598654 0.77 MAPT (0.44) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL23451220 0.77 SMN1; SMN2 (0.41) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL12407887 0.76 ALDH1A1 (0.40) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL12408151 0.76 ALDH1A1 (0.40) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL1896875 0.71 RAB9A (0.52) SMN1; SMN2CA12CA1CA9MEN1
SCHEMBL16116792 0.71 SMN1; SMN2 (0.41) SMN1; SMN2CA12CA1CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428460-B1 Dienoxysilanes, methods for their preparation and alpha-ethylenic alpha-halo-aldehydes accessible therefrom UNIV ROUEN (FR) 1995-03-29 EP disclosed
US-5113007-A DIENOXYSILANES UNIVERSITE DE ROUEN (FR) 1992-05-12 US disclosed
EP-0432068-A1 Process for the preparation of alpha-ethylene alpha-aminoaldehydes and compounds produced therefrom UNIVERSITE DE ROUEN (FR) 1991-06-12 EP disclosed
EP-0428460-A1 Dienoxysilanes, methods for their preparation and alpha-ethylenic alpha-halo-aldehydes accessible therefrom UNIVERSITE DE ROUEN (FR) 1991-05-22 EP disclosed