SCHEMBL19365795

SCHEMBL19365795

COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1S

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ODC1 P11926 2/20 0.82
▸ HIF1AN Q9NWT6 13/20 0.79
▸ ACHE P22303 2/20 0.72
▸ BCHE P06276 1/20 0.68
▸ PTPN1 P18031 1/20 0.68
▸ BACE1 P56817 1/20 0.68

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
SCHEMBL31376176 0.91 HIF1AN (0.87) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL16694388 0.91 HIF1AN (0.87) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL16694389 0.91 HIF1AN (0.87) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL29499925 0.90 ODC1 (1.00) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL16865502 0.89 ODC1 (0.84) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL13534952 0.84 ACHE (1.00) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL31376270 0.84 ACHE (1.00) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL19960678 0.82 PTPN1 (0.85) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL31376190 0.82 ACHE (0.78) ODC1HIF1ANACHEBCHEPTPN1
SCHEMBL16694587 0.82 HIF1AN (0.72) ODC1HIF1ANACHEBCHEPTPN1

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
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 — — EP disclosed
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