SCHEMBL10941190

SCHEMBL10941190

C[S+]([O-])c1cccc(C2SC[C@@H](C(=O)O)N2C(=O)CCCCCCCCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.39
▸ FFAR2 O15552 5/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ S1PR3 Q99500 1/20 0.36
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 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
SCHEMBL10944246 0.81 L3MBTL1 (0.44) ACEPOLBALDH1A1
SCHEMBL10946334 0.80 ACE (0.49) ACEHSD17B10FFAR2POLBGAA
SCHEMBL10943470 0.80 ACE (0.43) ACEHSD17B10FFAR2POLBGAA
SCHEMBL10942483 0.80 ACE (0.43) ACEHSD17B10FFAR2POLBGAA
SCHEMBL10945754 0.79 TBXAS1 (0.47) ACEHSD17B10KDM4EALDH1A1
SCHEMBL10945382 0.78 ACE (0.41) ACEHSD17B10FFAR2POLBGAA
SCHEMBL10944369 0.78 SMN1; SMN2 (0.45) ACEHSD17B10POLBHTTALDH1A1
SCHEMBL10943590 0.77 GAA (0.50) ACEHSD17B10FFAR2POLBGAA
SCHEMBL10944176 0.76 ACE (0.45) ACEHSD17B10FFAR2POLBGAA
SCHEMBL10944276 0.76 ACE (0.45) ACEHSD17B10FFAR2POLBGAA

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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