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Sugi Predict / Compounds / SCHEMBL11268635

SCHEMBL11268635

SCHEMBL11268635

COc1cc(C2SC[C@@H](C(=O)O)N2C(=O)[C@H](C)CSSC(C(C)OC(=O)C(C)(C)C)[C@](C)(C(=O)N2C(c3cc(OC)c(OC)c(OC)c3)SC[C@H]2C(=O)O)C(C)OC(=O)C(C)(C)C)cc(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ FFAR2 O15552 3/20 0.32

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
SCHEMBL11199594 0.82 POLB (0.44) POLBGAARAB9AFFAR2
SCHEMBL11442022 0.76 POLB (0.44) POLBGAARAB9AFFAR2
SCHEMBL11442004 0.76 POLB (0.44) POLBGAARAB9AFFAR2
SCHEMBL11442031 0.76 POLB (0.44) POLBGAARAB9AFFAR2
SCHEMBL11201160 0.71 GAA (0.47) POLBGAARAB9AFFAR2
SCHEMBL11185141 0.67 GAA (0.66) POLBGAARAB9AFFAR2
SCHEMBL11183365 0.67 POLB (0.38) POLBGAARAB9AFFAR2
SCHEMBL14044982 0.67 POLB (0.47) POLBGAARAB9AFFAR2
SCHEMBL11184570 0.65 POLB (0.47) POLBGAARAB9AFFAR2
SCHEMBL11199610 0.64 TUBB4A (0.38) POLBGAARAB9AFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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