Sugi Predict

Sugi Predict / Compounds / SCHEMBL9556000

SCHEMBL9556000

SCHEMBL9556000

CCC(O)CC(O)C(CC1CCCCC1)N(C(=O)[C@@H](N)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C(N)=O)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.46
▸ CTSD P07339 8/20 0.46
▸ CTSE P14091 7/20 0.46
▸ PGA5 P0DJD9 4/20 0.46
▸ PGC P20142 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL7315594 0.85 REN (0.45) RENCTSDCTSEPGA5PGC
SCHEMBL9556283 0.81 CTSE (0.55) RENCTSDCTSEPGA5PGC
SCHEMBL7322193 0.76 REN (0.38) RENCTSDCTSEPGA5LMNA
SCHEMBL7320803 0.68 REN (0.57) RENCTSDCTSEPGA5PGC
SCHEMBL7319330 0.68 ALDH1A1 (0.53) ALDH1A1LMNA
SCHEMBL3781692 0.65 ALDH1A1 (0.59) ALDH1A1LMNA
SCHEMBL4795306 0.64 CTSS (0.53) ALDH1A1LMNA
SCHEMBL7354500 0.61 LMNA (0.60) ALDH1A1LMNA
SCHEMBL14516111 0.61 ALDH1A1 (0.77) ALDH1A1LMNA
SCHEMBL9556385 0.61 ALDH1A1 (0.58) ALDH1A1LMNA

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
US-5198426-A RENIN INHIBITORS CONTAINING C-TERMINAL DIHYDROXY AMIDES WARNER-LAMBERT COMPANY (US) 1993-03-30 — — US disclosed
EP-0380805-A1 Renin inhibitors containing C-terminal dihydroxy amides WARNER-LAMBERT COMPANY (US) 1990-08-08 — — EP disclosed
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