SCHEMBL10942943

SCHEMBL10942943

O=C(O)CCSCCC(=O)N1C(c2cccc([N+](=O)[O-])c2)SC[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ACE P12821 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL10942993 0.88 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2POLBKMT2AACE
SCHEMBL10944246 0.88 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2POLBKMT2AACE
SCHEMBL10942665 0.87 SMN1; SMN2 (0.45) L3MBTL1SMN1; SMN2POLBKMT2AACE
SCHEMBL10944369 0.87 SMN1; SMN2 (0.45) L3MBTL1SMN1; SMN2POLBKMT2AACE
SCHEMBL10944724 0.81 SMN1; SMN2 (0.42) L3MBTL1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL11199902 0.77 SMN1; SMN2 (0.42) SMN1; SMN2POLBKMT2AALDH1A1HSD17B10
SCHEMBL11257852 0.77 ACE (0.55) POLBKMT2AACEALDH1A1HSD17B10
SCHEMBL11222613 0.76 POLB (0.42) L3MBTL1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL10944629 0.76 ALDH1A1 (0.42) L3MBTL1SMN1; SMN2POLBKMT2AALDH1A1
SCHEMBL11000518 0.76 POLB (0.43) SMN1; SMN2POLBKMT2AACEALDH1A1

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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