SCHEMBL10941485

SCHEMBL10941485

O=C(SCCC(=O)N1[C@@H](c2ccccc2O)SC[C@H]1C(=O)NO)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.57
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.36
▸ FFAR2 O15552 9/20 0.36
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33

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
SCHEMBL10938815 0.90 ACE (0.71) ACEKMT2ALMNAFFAR2HTT
SCHEMBL11066115 0.90 ACE (0.71) ACEKMT2ALMNAFFAR2HTT
SCHEMBL10966510 0.85 ACE (0.49) ACEKMT2ALMNA
SCHEMBL10971131 0.84 ACE (0.48) ACEKMT2ALMNAHTTALDH1A1
SCHEMBL10938561 0.83 ACE (0.77) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10966516 0.80 ACE (0.50) ACEKMT2ALMNAFFAR2HTT
SCHEMBL10968013 0.80 ACE (0.54) ACEKMT2ALMNAFFAR2ALDH1A1
SCHEMBL10968295 0.79 ACE (0.71) ACEKMT2ALMNAFFAR2HTT
SCHEMBL10979196 0.79 ACE (0.77) ACEKMT2ALMNAFFAR2HTT
SCHEMBL11185062 0.79 ACE (0.77) ACEKMT2ALMNAFFAR2HTT

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 6 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-A1 HETEROCYCLIC 5-MEMBERED RING COMPOUNDS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-12-29 — — EP 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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