SCHEMBL11267042

SCHEMBL11267042

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.53
▸ FFAR2 O15552 12/20 0.47
▸ HTT P42858 1/20 0.44
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.39

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
SCHEMBL11110326 0.89 ACE (0.51) ACEFFAR2HTTLMNA
SCHEMBL11102513 0.89 ACE (0.68) ACEFFAR2HTTPOLBGAA
SCHEMBL11266045 0.86 ACE (0.41) ACEFFAR2HTTPOLBGAA
SCHEMBL11075093 0.83 ACE (0.54) ACEFFAR2HTTPOLBGAA
SCHEMBL11191864 0.82 ACE (0.53) ACEFFAR2HTTPOLBGAA
SCHEMBL11185372 0.82 ACE (0.53) ACEFFAR2HTTPOLBGAA
SCHEMBL10969779 0.82 ACE (0.77) ACEFFAR2HTTPOLBLMNA
SCHEMBL11185062 0.82 ACE (0.77) ACEFFAR2HTTPOLBLMNA
SCHEMBL10979196 0.82 ACE (0.77) ACEFFAR2HTTPOLBLMNA
SCHEMBL11195287 0.81 ACE (0.52) ACEFFAR2HTTPOLBLMNA

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