SCHEMBL10999352

SCHEMBL10999352

CC(=O)Oc1ccccc1C1SC[C@@H](C(=O)O)N1C(=O)CCSC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.52
▸ FFAR2 O15552 9/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ TERT O14746 1/20 0.39
▸ POLB P06746 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
SCHEMBL11191864 0.92 ACE (0.53) ACEFFAR2LMNAHTTPOLB
SCHEMBL10995338 0.89 ACE (0.47) ACEFFAR2KMT2ALMNA
SCHEMBL10968295 0.85 ACE (0.71) ACEFFAR2KMT2ALMNAHTT
SCHEMBL10944250 0.85 ACE (0.53) ACEFFAR2LMNAHTTPOLB
SCHEMBL11195287 0.82 ACE (0.52) ACEFFAR2KMT2ALMNAHTT
SCHEMBL11075093 0.81 ACE (0.54) ACEFFAR2LMNAHTTPOLB
SCHEMBL10999357 0.80 ACE (0.49) ACEFFAR2LMNAHTTPOLB
SCHEMBL11110326 0.77 ACE (0.51) ACEFFAR2KMT2ALMNAHTT
SCHEMBL10999348 0.76 ACE (0.47) ACEFFAR2LMNAHTTPOLB
SCHEMBL11191876 0.76 ACE (0.39) ACEFFAR2LMNAHTTTERT

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-4483861-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-20 — — US claimed
US-4496578-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-01-29 — — US disclosed
US-4483861-A Antihypertensive sulfur-containing compounds SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-11-20 — — US disclosed
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