SCHEMBL11189799

SCHEMBL11189799

COc1ccc(C2SC[C@@H](C(=O)O)N2C(=O)CCS)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.68
▸ HTT P42858 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ FFAR2 O15552 6/20 0.45
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL11185372 0.89 ACE (0.53) ACEHTTGAAPOLBRAB9A
SCHEMBL683282 0.84 GAA (0.70) ACEHTTGAAPOLBRAB9A
SCHEMBL11102513 0.81 ACE (0.68) ACEHTTGAAPOLBRAB9A
Rentiapril SCHEMBL294980 0.81 ACE (1.00) ACEHTTPOLBFFAR2ALDH1A1
Rentiapril SCHEMBL11065900 0.81 ACE (1.00) ACEHTTPOLBFFAR2ALDH1A1
Rentiapril SCHEMBL323403 0.81 ACE (1.00) ACEHTTPOLBFFAR2ALDH1A1
SCHEMBL11059109 0.77 ACE (0.65) ACEGAAPOLBRAB9AFFAR2
SCHEMBL683637 0.76 ACE (0.67) ACEGAAPOLBRAB9AFFAR2
SCHEMBL11062771 0.76 ACE (0.67) ACEGAAPOLBRAB9AFFAR2
SCHEMBL11062272 0.76 ACE (0.66) ACEGAAPOLBRAB9AFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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