SCHEMBL11219793

SCHEMBL11219793

C[C@H](CSSC[C@@H](C)C(=O)N1C(c2cc(Cl)ccc2O)SC[C@H]1C(=O)O)C(=O)N1C(c2cc(Cl)ccc2O)SC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ FFAR2 O15552 12/20 0.38
▸ HTT P42858 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
SCHEMBL11104668 0.89 ACE (0.48) ACELMNAFFAR2
SCHEMBL11104265 0.89 ACE (0.46) ACELMNAFFAR2HTT
SCHEMBL11194036 0.85 ACE (0.59) ACELMNAFFAR2HTT
SCHEMBL11196868 0.81 HTT (0.32) ACELMNAFFAR2HTT
SCHEMBL11201160 0.78 GAA (0.47) FFAR2
SCHEMBL11104269 0.78 LMNA (0.46) ACELMNAFFAR2HTT
SCHEMBL11219804 0.78 ACE (0.36) ACELMNAFFAR2HTT
SCHEMBL11262988 0.76 POLB (0.48) ACEFFAR2
SCHEMBL11062257 0.76 ACE (0.55) ACELMNAFFAR2HTT
SCHEMBL11184570 0.75 POLB (0.47) FFAR2

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-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US claimed
US-4410542-A HYPOTENSIVE AGENTS, PYRROLINE-1,2-DICARBOXYLIC ACID DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-10-18 — — US disclosed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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