SCHEMBL7440606

SCHEMBL7440606

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.44
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CCR1 P32246 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
SCHEMBL7429691 0.88 REN (0.42) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7423570 0.85 REN (0.47) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7433916 0.81 REN (0.36) REN
SCHEMBL7429573 0.81 REN (0.50) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7440602 0.81 REN (0.39) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7433079 0.77 REN (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7436333 0.76 REN (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7428000 0.76 REN (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7431805 0.74 PSMB5 (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7429577 0.74 REN (0.46) REN

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