SCHEMBL7315594

SCHEMBL7315594

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 9/20 0.45
▸ CTSD P07339 8/20 0.43
▸ CTSE P14091 7/20 0.43
▸ PGA5 P0DJD9 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ PGC P20142 1/20 0.40
▸ GAA P10253 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL9556000 0.85 REN (0.46) RENCTSDCTSEPGA5ALDH1A1
SCHEMBL9556283 0.79 CTSE (0.55) RENCTSDCTSEPGA5ALDH1A1
SCHEMBL7322193 0.75 REN (0.38) RENCTSDCTSEPGA5LMNA
SCHEMBL4795306 0.64 CTSS (0.53) ALDH1A1GAALMNAKDM4EMEN1
SCHEMBL14516111 0.63 ALDH1A1 (0.77) ALDH1A1GAALMNAKDM4EMEN1
SCHEMBL7354500 0.62 LMNA (0.60) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL13995385 0.62 ALDH1A1 (1.00) ALDH1A1GAALMNAKDM4EMEN1
SCHEMBL7319330 0.62 ALDH1A1 (0.53) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL9556385 0.61 ALDH1A1 (0.58) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL11146076 0.61 LMNA (0.64) ALDH1A1GAALMNAKDM4EMEN1

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-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
WO-1990007521-A1 RENIN INHIBITORS CONTAINING C-TERMINAL DIHYDROXY AMIDES WARNER-LAMBERT COMPANY (US) 1990-07-12 — — WO disclosed
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