SCHEMBL8722657

SCHEMBL8722657

O=C(O)COC(=O)CNCCNCCNCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
LTA4H P09960 5/20 0.46
HTT P42858 2/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
ASAH1 Q13510 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP1 P29466 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
SCHEMBL852589 0.83 LTA4H (0.64) SMN1; SMN2LMNALTA4HHTTASAH1
SCHEMBL880293 0.82 SMN1; SMN2 (0.55) SMN1; SMN2LMNALTA4HHTTCA1
SCHEMBL20221617 0.81 SMN1; SMN2 (0.51) SMN1; SMN2LMNALTA4HHTTASAH1
SCHEMBL7134228 0.79 TSHR (0.58) SMN1; SMN2LMNAHTT
SCHEMBL2607238 0.78 SMN1; SMN2 (0.56) SMN1; SMN2LMNALTA4HHTTCA1
SCHEMBL8059055 0.77 HTT (0.56) SMN1; SMN2LMNALTA4HHTTMAPK1
SCHEMBL8760726 0.77 TSHR (0.61) SMN1; SMN2LMNAHTT
SCHEMBL6239312 0.77 SMN1; SMN2 (0.52) SMN1; SMN2LMNALTA4HHTTASAH1
SCHEMBL30473567 0.77 L3MBTL1 (0.48) SMN1; SMN2LMNALTA4HHTTASAH1
SCHEMBL24042644 0.77 SMN1; SMN2 (0.55) SMN1; SMN2LMNALTA4HCA1CA2

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
US-5772651-A DEGASSED AQUEOUS SOLUTION; GASTROINTESTINAL SYSTEM DIBRA S.P.A. (IT) 1998-06-30 US disclosed