SCHEMBL7296156

SCHEMBL7296156

COC(=O)C(CC(C)C)C(C(CC1CCCCC1)NC(=O)[C@@H](N)Cc1ccccc1)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.49
▸ PSEN1 P49768 1/20 0.45
▸ PSEN2 P49810 1/20 0.45
▸ APH1B Q8WW43 1/20 0.45
▸ NCSTN Q92542 1/20 0.45
▸ APH1A Q96BI3 1/20 0.45
▸ PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL7308131 0.83 CTSD (0.45) RENPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL10718561 0.78 ACE2 (0.48) —
SCHEMBL7431995 0.75 REN (0.56) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10716078 0.73 LTA4H (0.46) RENPSEN1PSEN2APH1BNCSTN
SCHEMBL10716075 0.73 LTA4H (0.46) RENPSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL9848368 0.72 CTSD (0.55) REN
Hydrochloric Acid SCHEMBL9848349 0.72 CTSD (0.55) REN
SCHEMBL7286409 0.72 LTA4H (0.47) —
SCHEMBL7286416 0.72 LTA4H (0.47) —
SCHEMBL7308139 0.71 MMP1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP disclosed
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