SCHEMBL11289322

SCHEMBL11289322

CC(C)Sc1ccc(C(O)C(C)NC2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ABCB11 O95342 1/20 0.48
EGFR P00533 1/20 0.48
ESR1 P03372 1/20 0.48
CYP1A2 P05177 1/20 0.48
FYN P06241 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL10848173 0.82 LMNA (0.43) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10848167 0.82 LMNA (0.43) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL20144709 0.80 GAA (0.62) LMNAKMT2AMEN1ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL10847832 0.80 CYP2D6 (0.41) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL10847829 0.80 CYP2D6 (0.41) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL20144686 0.79 GAA (0.64) LMNAKMT2AMEN1ALDH1A1NPSR1
SCHEMBL11291642 0.77 ADRA2C (0.41) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL10847654 0.76 LMNA (0.42) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4380710 0.75 GAA (0.59) LMNAKMT2AMEN1ALDH1A1NPSR1
SCHEMBL11661410 0.70 HPGD (0.67) LMNASMN1; SMN2KMT2AMEN1ALDH1A1

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-0066919-A1 4-Alkyl-thiophenyl-ethanolamines, having an activity on the cerebral circulation, the blood platelet-aggregation and the lipemia MAGGIONI FARMACEUTICI S.p.A. (IT) 1982-12-15 EP claimed