SCHEMBL7876884

SCHEMBL7876884

[CH2]CCCNC(=O)OCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.44
ACHE P22303 10/20 0.44
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 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
SCHEMBL1467635 0.89 SMN1; SMN2 (0.49) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL13296433 0.83 ACHE (0.66) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL24131321 0.82 LMNA (0.49) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL10119353 0.81 LMNA (0.51) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL18075914 0.81 LMNA (0.51) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL8193146 0.81 ACHE (0.53) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL3792109 0.81 LMNA (0.51) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL10141268 0.81 ACHE (0.58) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL24131327 0.81 LMNA (0.48) LMNAALDH1A1SMN1; SMN2ALOX15ACHE
SCHEMBL1468073 0.80 SMN1; SMN2 (0.51) LMNAALDH1A1SMN1; SMN2ALOX15TSHR

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-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed