SCHEMBL11062771

SCHEMBL11062771

O=C(O)[C@@H]1CSC(c2ccc(O)cc2)N1C(=O)CCS

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.67
▸ GAA P10253 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.44
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FFAR2 O15552 3/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL683637 1.00 ACE (0.67) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL683641 0.90 ACE (0.73) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL11190530 0.89 ACE (0.62) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL11062272 0.86 ACE (0.66) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL11186340 0.86 ACE (0.50) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL11059109 0.85 ACE (0.65) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL683176 0.85 ACE (0.58) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL683282 0.85 GAA (0.70) ACEGAAPOLBRAB9AHSD17B10
SCHEMBL11385050 0.81 ACE (0.61) ACEGAAPOLBRAB9AHSD17B10
Rentiapril SCHEMBL294980 0.80 ACE (1.00) ACEPOLBHSD17B10FFAR2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4430344-A Antihypertensive 4-thiazolidinecarboxylic acids SANTEN PHARMACEUTICAL CO., LTD. (JP) 1984-02-07 — — US claimed
JP-56081691-A — — None — — JP disclosed
US-4410542-A HYPOTENSIVE AGENTS, PYRROLINE-1,2-DICARBOXYLIC ACID DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-10-18 — — US disclosed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
JP-S5681691-A MANUFACTURE OF THIOL COMPOUND SANTEN PHARMACEUT CO LTD 1981-07-03 — — JP disclosed
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