SCHEMBL10944637

SCHEMBL10944637

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ACE P12821 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ FFAR2 O15552 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 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
SCHEMBL10942643 0.92 POLB (0.43) POLBGAARAB9AACESMN1; SMN2
SCHEMBL11000518 0.92 POLB (0.43) POLBGAARAB9AACESMN1; SMN2
SCHEMBL10941388 0.92 POLB (0.43) POLBGAARAB9AACESMN1; SMN2
SCHEMBL10942736 0.83 POLB (0.41) POLBGAARAB9AACESMN1; SMN2
SCHEMBL10942993 0.80 L3MBTL1 (0.44) POLBACESMN1; SMN2ALDH1A1KMT2A
SCHEMBL10944246 0.80 L3MBTL1 (0.44) POLBACESMN1; SMN2ALDH1A1KMT2A
SCHEMBL10943590 0.77 GAA (0.50) POLBGAARAB9AACESMN1; SMN2
SCHEMBL10940821 0.76 GAA (0.46) POLBGAARAB9AACESMN1; SMN2
SCHEMBL10945275 0.76 FFAR2 (0.48) POLBGAARAB9AACESMN1; SMN2
SCHEMBL10942665 0.76 SMN1; SMN2 (0.45) POLBACESMN1; SMN2HSD17B10ALDH1A1

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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