SCHEMBL7431995

SCHEMBL7431995

CCOP(=O)(OCC)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 19/20 0.56
▸ PSEN1 P49768 1/20 0.53
▸ PSEN2 P49810 1/20 0.53
▸ APH1B Q8WW43 1/20 0.53
▸ NCSTN Q92542 1/20 0.53
▸ APH1A Q96BI3 1/20 0.53
▸ PSENEN Q9NZ42 1/20 0.53

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
SCHEMBL7433143 0.87 REN (0.61) REN
SCHEMBL7431805 0.81 PSMB5 (0.59) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7269492 0.80 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7269499 0.80 REN (0.57) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL9555781 0.80 REN (0.52) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10443607 0.79 REN (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10443609 0.79 REN (0.61) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7483390 0.79 PSEN1 (0.53) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7433079 0.79 REN (0.62) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL7493672 0.78 PSMB5 (0.60) 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
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
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