SCHEMBL7989796

SCHEMBL7989796

[CH2]OC1CCN(C(=O)OCCC)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.43
PDE4B Q07343 1/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.39
TSHR P16473 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL7992733 0.90 SMN1; SMN2 (0.56) GAAPOLBSMN1; SMN2LMNAL3MBTL1
SCHEMBL7989438 0.88 GAA (0.59) GAAPOLBSMN1; SMN2L3MBTL1THRB
SCHEMBL14293823 0.81 GAA (0.50) GAAPOLBSMN1; SMN2LMNAL3MBTL1
SCHEMBL12311386 0.81 GAA (0.50) GAAPOLBSMN1; SMN2LMNAL3MBTL1
SCHEMBL7989514 0.80 GAA (0.46) GAAPOLBSMN1; SMN2LMNAL3MBTL1
SCHEMBL12086316 0.79 GAA (0.49) GAAPOLBSMN1; SMN2LMNAL3MBTL1
SCHEMBL14275779 0.79 GAA (0.53) GAAPOLBSMN1; SMN2LMNAL3MBTL1
SCHEMBL12988860 0.78 GAA (0.47) GAAPOLBSMN1; SMN2LMNAL3MBTL1
SCHEMBL11578382 0.78 GAA (0.56) GAAPOLBSMN1; SMN2LMNAL3MBTL1
SCHEMBL7974809 0.77 EPHX1 (0.42) GAASMN1; SMN2L3MBTL1THRBATM

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed