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Sugi Predict / Compounds / SCHEMBL11201160

SCHEMBL11201160

SCHEMBL11201160

COc1cc(C2SC[C@@H](C(=O)O)N2C(=O)[C@H](C)CSSC[C@@H](C)C(=O)N2C(c3ccc(O)c(OC)c3)SC[C@H]2C(=O)O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ FFAR2 O15552 5/20 0.43
▸ TSHR P16473 1/20 0.38
▸ QDPR P09417 1/20 0.38

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
SCHEMBL11109577 0.89 GAA (0.47) GAAPOLBRAB9AFFAR2TSHR
SCHEMBL11199594 0.87 POLB (0.44) GAAPOLBRAB9AFFAR2
SCHEMBL11185141 0.85 GAA (0.66) GAAPOLBRAB9AFFAR2TSHR
SCHEMBL11184570 0.82 POLB (0.47) GAAPOLBRAB9AFFAR2
SCHEMBL11262988 0.81 POLB (0.48) GAAPOLBRAB9AFFAR2
SCHEMBL11442022 0.80 POLB (0.44) GAAPOLBRAB9AFFAR2
SCHEMBL11442004 0.80 POLB (0.44) GAAPOLBRAB9AFFAR2
SCHEMBL11442031 0.80 POLB (0.44) GAAPOLBRAB9AFFAR2
SCHEMBL11257128 0.79 GAA (0.58) GAAPOLBRAB9AFFAR2TSHR
SCHEMBL11202270 0.79 POLB (0.46) GAAPOLBRAB9AFFAR2

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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