SCHEMBL10943458

SCHEMBL10943458

COc1ccc(C2SC[C@@H](C(=O)O)N2C(=O)CCCCCCC(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.67
▸ POLB P06746 2/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ TSHR P16473 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.50
▸ FFAR2 O15552 3/20 0.45
▸ ACE P12821 2/20 0.43
▸ PDE4B Q07343 1/20 0.40
▸ LTB4R Q15722 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL11183345 0.88 GAA (0.69) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL683282 0.86 GAA (0.70) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL10943590 0.86 GAA (0.50) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL10945275 0.85 FFAR2 (0.48) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL10940821 0.85 GAA (0.46) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL10943774 0.83 POLB (0.45) GAAPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL10941388 0.81 POLB (0.43) GAAPOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL11000518 0.81 POLB (0.43) GAAPOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL10942643 0.81 POLB (0.43) GAAPOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL10945382 0.77 ACE (0.41) GAAPOLBRAB9ATSHRSMN1; 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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