SCHEMBL7483390

SCHEMBL7483390

COP(=O)(OC)C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ REN P00797 19/20 0.51

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
SCHEMBL7432802 0.88 REN (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7433079 0.87 REN (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7431805 0.86 PSMB5 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9574958 0.83 REN (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7432310 0.83 REN (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7431648 0.82 REN (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7438083 0.82 REN (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7430364 0.81 REN (0.58) REN
SCHEMBL10532162 0.81 REN (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7428000 0.80 REN (0.61) PSEN1PSEN2APH1BNCSTNAPH1A

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