SCHEMBL8563107

SCHEMBL8563107

CC(C)(C)CC(C)(C)c1ccc(OC(CC(N)C(=O)O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
PPARG P37231 8/20 0.41
PPARA Q07869 8/20 0.41
SHBG P04278 1/20 0.41
KIF11 P52732 3/20 0.40
MDH1 P40925 3/20 0.39
MDH2 P40926 3/20 0.39

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
SCHEMBL8563110 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CYP3A4PPARGPPARASHBG
SCHEMBL31151825 0.83 SMN1; SMN2 (0.54) SMN1; SMN2CYP3A4PPARGPPARASHBG
Hydrochloric Acid SCHEMBL10387366 0.82 SMN1; SMN2 (0.52) SMN1; SMN2CYP3A4PPARGPPARASHBG
SCHEMBL8559406 0.81 PPARG (0.62) PPARGPPARAKIF11
SCHEMBL8559402 0.81 PPARG (0.62) PPARGPPARAKIF11
SCHEMBL8558724 0.79 PPARG (0.55) SMN1; SMN2PPARGPPARAKIF11
SCHEMBL8558721 0.79 PPARG (0.55) SMN1; SMN2PPARGPPARAKIF11
SCHEMBL8559317 0.79 PPARG (0.55) SMN1; SMN2PPARGPPARAKIF11
SCHEMBL8560351 0.79 PPARG (0.59) SMN1; SMN2PPARGPPARAKIF11
SCHEMBL8559217 0.77 PPARG (0.53) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843997-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
US-5576323-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed