SCHEMBL7319330

SCHEMBL7319330

COC(=O)C(NC(=O)[C@@H](N)Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 1/20 0.44

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
SCHEMBL9556385 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL7354500 0.79 LMNA (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL7329311 0.75 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL3781692 0.75 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL7358861 0.71 LMNA (0.60) ALDH1A1SMN1; SMN2LMNAGAAMAPK1
SCHEMBL13995385 0.71 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11146076 0.70 LMNA (0.64) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11997720 0.69 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6755308 0.69 ACACB (0.55) ALDH1A1SMN1; SMN2MAPT
SCHEMBL12733161 0.69 ACACB (0.55) ALDH1A1SMN1; SMN2MAPT

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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