SCHEMBL8840299

SCHEMBL8840299

CC(C)CCC(NC(=O)NC(C)(C)C)[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
REN P00797 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL7360716 0.90 BACE1 (0.36) BACE1NPC1RAB9AMAPTREN
SCHEMBL7353577 0.85 REN (0.34) BACE1REN
SCHEMBL8606263 0.82 BACE1 (0.35) BACE1NPC1RAB9AMAPTREN
SCHEMBL7360719 0.82 BACE1 (0.36) BACE1NPC1RAB9AMAPTREN
SCHEMBL7547746 0.81 LAP3 (0.49) NPC1RAB9AMAPTRENLMNA
SCHEMBL6430008 0.81 LAP3 (0.49) NPC1RAB9AMAPTRENLMNA
SCHEMBL8899924 0.81 BACE1 (0.36) BACE1NPC1RAB9AMAPTREN
SCHEMBL9742824 0.80 NPC1 (0.51) BACE1NPC1RAB9AMAPTALDH1A1
SCHEMBL6448962 0.80 NPC1 (0.51) BACE1NPC1RAB9AMAPTALDH1A1
SCHEMBL7360300 0.80 BACE1 (0.40) BACE1RENBCHE

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-5622949-A AIDS THERAPY G. D. SEARLE & CO. (US) 1997-04-22 US disclosed
US-5620977-A HUMAN IMMUNODEFICIENCY VIRUS G.D. SEARLE & CO. (US) 1997-04-15 US disclosed