SCHEMBL7440602

SCHEMBL7440602

COP(=O)(OC)C(O)[C@H](CC1CCCCC1)N[C@@H](CC(C)C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.39
CCR1 P32246 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MMP3 P08254 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
SCHEMBL7429694 0.88 REN (0.38) RENCCR1PSEN1PSEN2APH1B
SCHEMBL7423576 0.85 REN (0.42) RENCCR1PSEN1PSEN2APH1B
SCHEMBL7429577 0.81 REN (0.46) RENBCHE
SCHEMBL7440606 0.81 REN (0.44) RENCCR1PSEN1PSEN2APH1B
SCHEMBL7436327 0.79 REN (0.42) RENCCR1PSEN1PSEN2APH1B
SCHEMBL7433082 0.77 REN (0.52) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7427995 0.77 REN (0.51) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7429573 0.76 REN (0.50) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7433916 0.75 REN (0.36) REN
SCHEMBL7432302 0.73 REN (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217958-A Hypotensive agents E. R. SQUIBB & SONS, INC. (US) 1993-06-08 US disclosed
WO-1989007940-A1 1,2-HYDROXY PHOSPHONATES AND DERIVATIVES THEREOF E.R. SQUIBB & SONS, INC. (US) 1989-09-08 WO disclosed
EP-0331105-A2 1,2-Hydroxy phosphonates and derivatives thereof E.R. Squibb & Sons, Inc. (US) 1989-09-06 EP disclosed