SCHEMBL11196868

SCHEMBL11196868

C[C@H](CSSC(COC(=O)C(C)(C)C)[C@@](C)(COC(=O)C(C)(C)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 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.32
▸ ACE P12821 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ FFAR2 O15552 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
SCHEMBL11183365 0.84 POLB (0.38) FFAR2
SCHEMBL11219793 0.81 ACE (0.43) HTTACELMNAFFAR2
SCHEMBL11259834 0.81 PDE5A (0.33) HTTLMNA
SCHEMBL11104668 0.74 ACE (0.48) ACELMNAFFAR2
SCHEMBL11104265 0.74 ACE (0.46) HTTACELMNAFFAR2
SCHEMBL11194036 0.69 ACE (0.59) HTTACELMNAFFAR2
SCHEMBL11104269 0.66 LMNA (0.46) HTTACELMNAFFAR2
SCHEMBL11219804 0.64 ACE (0.36) HTTACELMNAFFAR2
SCHEMBL11196508 0.64 ACE (0.55) HTTACELMNAFFAR2
SCHEMBL11185141 0.63 GAA (0.66) HTTFFAR2

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-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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