SCHEMBL11266045

SCHEMBL11266045

COc1cccc(C2SC[C@@H](C(=O)O)N2C(=O)CCSSCC(COC(=O)C(C)(C)C)(COC(=O)C(C)(C)C)C(=O)N2C(c3cccc(OC)c3O)SC[C@H]2C(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.41
▸ FFAR2 O15552 12/20 0.38
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LMNA P02545 1/20 0.30

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
SCHEMBL11196508 0.88 ACE (0.55) ACEFFAR2HTTPOLBLMNA
SCHEMBL11267042 0.86 ACE (0.53) ACEFFAR2HTTPOLBGAA
SCHEMBL11188904 0.83 GAA (0.51) ACEFFAR2HTTPOLBGAA
SCHEMBL11110326 0.77 ACE (0.51) ACEFFAR2HTTLMNA
SCHEMBL11102513 0.76 ACE (0.68) ACEFFAR2HTTPOLBGAA
SCHEMBL11261862 0.76 ACE (0.60) ACEFFAR2HTTPOLBLMNA
SCHEMBL11272933 0.74 ACE (0.35) ACEFFAR2
SCHEMBL11189446 0.73 GAA (0.44) ACEFFAR2POLBGAARAB9A
SCHEMBL11075093 0.72 ACE (0.54) ACEFFAR2HTTPOLBGAA
SCHEMBL11272093 0.72 — —

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
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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