SCHEMBL9012671

SCHEMBL9012671

COC[C@H](NC(C)=O)C(=O)NC(CC1CCCCC1)C(O)C(F)(F)C(NC(=O)[C@H](COC)NC(C)=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.47
BACE1 P56817 3/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CTSL P07711 4/20 0.33
CTSS P25774 4/20 0.33
CTSK P43235 3/20 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
SCHEMBL9011705 0.82 REN (0.50) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7276185 0.71 CTSL (0.52) RENCTSLCTSSCTSK
SCHEMBL23052492 0.65 REN (0.44) RENCTSLCTSSCTSK
SCHEMBL7332409 0.65 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL19270372 0.63 MMP1 (0.51) RENCTSLCTSSCTSK
SCHEMBL7843875 0.62 GRN (0.55) RENCTSLCTSSCTSK
SCHEMBL6467188 0.62 GRN (0.55) RENCTSLCTSSCTSK
SCHEMBL29511128 0.62 GRN (0.55) RENCTSLCTSSCTSK
SCHEMBL12506241 0.62 CTSK (0.55) RENCTSLCTSK
SCHEMBL7212260 0.62 REN (0.46) RENPSEN1PSEN2APH1BNCSTN

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-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed