SCHEMBL11150108

SCHEMBL11150108

O=C(Oc1nonc1OC(=O)N1CCCCC1)N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
LIPA P38571 7/20 0.53
KMT2A Q03164 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL19607576 0.69 LIPA (1.00) ALDH1A1POLBLIPAKMT2ASMN1; SMN2
SCHEMBL17078253 0.69 LIPA (1.00) ALDH1A1POLBLIPAKMT2ASMN1; SMN2
SCHEMBL17078239 0.69 LIPA (1.00) ALDH1A1POLBLIPAKMT2ASMN1; SMN2
SCHEMBL22978691 0.68 TSHR (0.49) ALDH1A1POLBKMT2ASMN1; SMN2MEN1
SCHEMBL28673249 0.68 KMT2A (0.62) ALDH1A1POLBLIPAKMT2ASMN1; SMN2
SCHEMBL30473912 0.68 ALDH1A1 (0.56) ALDH1A1POLBLIPAKMT2ASMN1; SMN2
SCHEMBL30449933 0.67 ALDH1A1 (0.50) ALDH1A1POLBLIPAKMT2ASMN1; SMN2
SCHEMBL28864240 0.67 ALDH1A1 (0.76) ALDH1A1POLBKMT2ASMN1; SMN2MEN1
SCHEMBL31718378 0.67 ALDH1A1 (0.55) ALDH1A1POLBLIPAKMT2ASMN1; SMN2
SCHEMBL30443406 0.67 ALDH1A1 (0.54) ALDH1A1POLBKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0075141-A1 1,2,5-Oxadiazole-3,4-dicarboxylic-acid derivatives, process for their production, their use and pharmaceutical preparations containing them CASSELLA Aktiengesellschaft (DE) 1983-03-30 EP disclosed