SCHEMBL8779454

SCHEMBL8779454

O=C(NCC(O)CCc1ccccc1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 1/20 0.51
SLC1A3 P43003 1/20 0.49
SLC1A1 P43005 1/20 0.49
ALDH1A1 P00352 1/20 0.47
SYK P43405 1/20 0.47
MMP12 P39900 1/20 0.47
DPP4 P27487 1/20 0.47
CASP1 P29466 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TGM2 P21980 1/20 0.46
CTRB1 P17538 2/20 0.46
CTSL P07711 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL8779460 1.00 LMNA (0.54) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL5019087 0.89 LMNA (0.61) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL4923251 0.88 LMNA (0.54) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL16691163 0.88 LMNA (0.54) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL16691249 0.88 LMNA (0.54) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL12667027 0.87 LMNA (0.52) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL28017694 0.87 HTT (0.61) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL19390721 0.87 SMN1; SMN2 (0.52) LMNASMN1; SMN2HTTSLC1A3SLC1A1
Hydrochloric Acid SCHEMBL10865002 0.86 HDAC3 (0.52) LMNASMN1; SMN2ALDH1A1DPP4KMT2A
SCHEMBL1568538 0.85 LMNA (0.56) LMNASMN1; SMN2HTTSLC1A3SLC1A1

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-0813519-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 EP disclosed