SCHEMBL10942769

SCHEMBL10942769

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.54
▸ LMNA P02545 1/20 0.44
▸ FFAR2 O15552 9/20 0.39
▸ HTT P42858 1/20 0.37
▸ OXER1 Q8TDS5 2/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10940664 0.84 ACE (0.75) ACELMNAFFAR2HTTALDH1A1
SCHEMBL10945275 0.83 FFAR2 (0.48) ACELMNAFFAR2ALDH1A1TSHR
SCHEMBL10941007 0.81 ACE (0.77) ACELMNAFFAR2HTTALDH1A1
SCHEMBL11004289 0.81 ACE (0.80) ACELMNAFFAR2HTTALDH1A1
SCHEMBL10940708 0.77 ACE (0.53) ACELMNAFFAR2HTT
SCHEMBL10944184 0.76 ACE (0.80) ACELMNAFFAR2HTTALDH1A1
SCHEMBL11104668 0.76 ACE (0.48) ACELMNAFFAR2
SCHEMBL10944736 0.75 ACE (0.58) ACELMNAFFAR2HTTALDH1A1
SCHEMBL11219793 0.75 ACE (0.43) ACELMNAFFAR2HTT
SCHEMBL10940821 0.74 GAA (0.46) ACELMNAFFAR2ALDH1A1TSHR

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
EP-0031104-B1 THIAZOLIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-10-23 — — EP disclosed
US-4499102-A HYPOTENSIVE AND ANTIDIABETIC AGENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-02-12 — — US disclosed
EP-0031104-A1 Thiazolidine compounds, processes for their preparation and pharmaceutical compositions containing them SANTEN PHARMACEUTICAL CO., LTD. (JP) 1981-07-01 — — EP disclosed
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