SCHEMBL11185372

SCHEMBL11185372

COc1ccc(C2SC[C@@H](C(=O)O)N2C(=O)CCSSCCC(=O)N2C(c3ccc(OC)cc3O)SC[C@H]2C(=O)O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.53
▸ HTT P42858 1/20 0.48
▸ GAA P10253 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ FFAR2 O15552 7/20 0.44
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11189799 0.89 ACE (0.68) ACEHTTGAAPOLBRAB9A
SCHEMBL11183345 0.84 GAA (0.69) ACEHTTGAAPOLBRAB9A
SCHEMBL11267042 0.82 ACE (0.53) ACEHTTGAAPOLBRAB9A
SCHEMBL10969779 0.82 ACE (0.77) ACEHTTPOLBFFAR2ALDH1A1
SCHEMBL11185062 0.82 ACE (0.77) ACEHTTPOLBFFAR2ALDH1A1
SCHEMBL10979196 0.82 ACE (0.77) ACEHTTPOLBFFAR2ALDH1A1
SCHEMBL11195371 0.80 ACE (0.73) ACEHTTPOLBFFAR2ALDH1A1
SCHEMBL11184392 0.79 ACE (0.69) ACEHTTPOLBFFAR2ALDH1A1
SCHEMBL11191745 0.79 ACE (0.69) ACEHTTPOLBFFAR2ALDH1A1
SCHEMBL11188945 0.78 ACE (0.71) ACEHTTPOLBFFAR2ALDH1A1

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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