SCHEMBL5156464

SCHEMBL5156464

CCCN(C)C(=O)c1cc(CC(C)CO)cc(C(=O)OC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.41
ACACB O00763 2/20 0.40
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HSP90AA1 P07900 1/20 0.35
PRKCA P17252 2/20 0.35
PRKCD Q05655 2/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NAMPT P43490 1/20 0.34
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL3854548 0.81 LMNA (0.43) SLC7A5ACACBLMNAHSD17B10HSP90AA1
SCHEMBL3854874 0.79 NOTUM (0.48) ACACBLMNAHSD17B10KDM4EALDH1A1
SCHEMBL3886309 0.79 LMNA (0.43) SLC7A5ACACBLMNAHSD17B10KDM4E
SCHEMBL3861714 0.79 LMNA (0.42) ACACBLMNAHSD17B10HSP90AA1KDM4E
SCHEMBL3854478 0.78 LMNA (0.42) SLC7A5LMNAHSD17B10KDM4EALDH1A1
SCHEMBL3355550 0.78 LMNA (0.42) ACACBLMNAHSD17B10KDM4EALDH1A1
SCHEMBL3858278 0.78 LMNA (0.41) SLC7A5ACACBLMNAHSD17B10HSP90AA1
SCHEMBL3855535 0.75 LMNA (0.41) ACACBLMNAHSD17B10KDM4EALDH1A1
SCHEMBL5158669 0.75 LMNA (0.39) ACACBLMNAHSD17B10KDM4EALDH1A1
SCHEMBL3854906 0.74 LMNA (0.52) LMNAHSD17B10KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed