SCHEMBL10942643

SCHEMBL10942643

O=C(O)CCCCCCCCC(=O)N1C(c2ccc([N+](=O)[O-])cc2)SC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ACE P12821 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MMP14 P50281 1/20 0.37

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
SCHEMBL10941388 1.00 POLB (0.43) POLBGAARAB9AACEHSD17B10
SCHEMBL11000518 1.00 POLB (0.43) POLBGAARAB9AACEHSD17B10
SCHEMBL10944637 0.92 POLB (0.43) POLBGAARAB9AACEHSD17B10
SCHEMBL10942993 0.88 L3MBTL1 (0.44) POLBACEALDH1A1SMN1; SMN2KMT2A
SCHEMBL10944246 0.88 L3MBTL1 (0.44) POLBACEALDH1A1SMN1; SMN2KMT2A
SCHEMBL10942736 0.86 POLB (0.41) POLBGAARAB9AACEHSD17B10
SCHEMBL10945275 0.84 FFAR2 (0.48) POLBGAARAB9AACEHSD17B10
SCHEMBL10940821 0.84 GAA (0.46) POLBGAARAB9AACEHSD17B10
SCHEMBL10942665 0.84 SMN1; SMN2 (0.45) POLBACEHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL10944369 0.84 SMN1; SMN2 (0.45) POLBACEHSD17B10ALDH1A1SMN1; SMN2

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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