SCHEMBL7396361

SCHEMBL7396361

CC(C)CCCC(O)(O)NC(=O)C(CC1CC1)[C@@H](O)CC(O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
PSMB5 P28074 4/20 0.38
REN P00797 11/20 0.37
MMP3 P08254 1/20 0.36
LAP3 P28838 2/20 0.36
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 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
SCHEMBL7392057 0.83 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7396363 0.77 REN (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7327628 0.74 REN (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7397452 0.73 MMP1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7327623 0.73 REN (0.63) REN
SCHEMBL7395176 0.70 LMNA (0.42) LAP3ANPEPRNPEPDNPEP
SCHEMBL7397036 0.66 CCR1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7425908 0.66 MMP3 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7875195 0.64 SIGMAR1 (0.47)
SCHEMBL110343 0.63 TRPA1 (0.50) LAP3ANPEPRNPEPDNPEP

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-5354767-A Renin inhibiting polyhydroxy-monoamides BIO-MEGA, INC. (CA) 1994-10-11 US claimed
US-5354767-A Renin inhibiting polyhydroxy-monoamides BIO-MEGA, INC. (CA) 1994-10-11 US disclosed