SCHEMBL10939281

SCHEMBL10939281

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[C@H](CS)C(=O)N2[C@@H](c3ccccc3O)SC[C@H]2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.49
▸ CA9 Q16790 12/20 0.42
▸ CA12 O43570 11/20 0.42
▸ CA1 P00915 10/20 0.42
▸ CA2 P00918 4/20 0.42
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ SLC22A8 Q8TCC7 1/20 0.39
▸ ABCC2 Q92887 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ UGT1A7 Q9HAW7 1/20 0.39
▸ SLC22A11 Q9NSA0 1/20 0.39
▸ LMNA P02545 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ FFAR2 O15552 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36

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
SCHEMBL11293550 0.86 ACE (0.51) ACECA9CA12CA1CA2
SCHEMBL10939290 0.86 ACE (0.51) ACECA9CA12CA1CA2
SCHEMBL10938811 0.84 ACE (0.63) ACELMNAALDH1A1FFAR2HTT
SCHEMBL11066109 0.84 ACE (0.63) ACELMNAALDH1A1FFAR2HTT
SCHEMBL10939286 0.80 ACE (0.54) ACECA9CA12CA1CA2
SCHEMBL10939315 0.78 ACE (0.49) ACELMNAFFAR2
SCHEMBL10968292 0.78 ACE (0.64) ACERAB9ALMNAALDH1A1FFAR2
SCHEMBL10941478 0.76 ACE (0.51) ACELMNAALDH1A1FFAR2HTT
SCHEMBL11096470 0.76 ACE (0.61) ACELMNAALDH1A1FFAR2HTT
SCHEMBL683556 0.74 ACE (0.67) ACELMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067885-B1 HETEROCYCLIC 5-MEMBERED RING COMPOUNDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-09-04 — — EP claimed
US-4464371-A HYPOTENSIVE AGENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-08-07 — — US claimed
EP-0067885-B1 HETEROCYCLIC 5-MEMBERED RING COMPOUNDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-09-04 — — EP disclosed
US-4464371-A HYPOTENSIVE AGENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-08-07 — — US disclosed
EP-0067885-A1 HETEROCYCLIC 5-MEMBERED RING COMPOUNDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-12-29 — — EP disclosed
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