SCHEMBL9428199

SCHEMBL9428199

COc1ccc(C2=C(OC(C)=O)C(=O)Nc3ccc(Cl)cc3S2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ADAMTS5 Q9UNA0 2/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ CDYL2 Q8N8U2 1/20 0.39
▸ CDYL Q9Y232 1/20 0.39
▸ CDY1; CDY1B Q9Y6F8 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39

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
SCHEMBL10636998 0.91 SNCA (0.49) NOX1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5020109 0.85 MEN1 (0.49) NOX1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9427946 0.80 MAPT (0.44) NOX1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9171801 0.72 MAPT (0.54) NOX1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9427932 0.66 NOX1 (0.45) NOX1MEN1ALDH1A1MAPTKMT2A
SCHEMBL10830473 0.66 CACNA1S (0.47) NOX1MEN1ALDH1A1KMT2ACDYL2
SCHEMBL10830475 0.66 CACNA1S (0.47) NOX1MEN1ALDH1A1KMT2ACDYL2
SCHEMBL10830479 0.66 CACNA1S (0.47) NOX1MEN1ALDH1A1KMT2ACDYL2
SCHEMBL12311067 0.64 NOX1 (1.00) NOX1MEN1ALDH1A1MAPTKMT2A
SCHEMBL9813149 0.63 SNCA (0.61) NOX1MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310904-A Intermediate TANABE SEIYAKU CO., LTD. (JP) 1994-05-10 — — US disclosed
EP-0551076-A1 Process for preparing optically active benzothiazepine compounds by asymmetric reduction TANABE SEIYAKU CO., LTD. (JP) 1993-07-14 — — EP disclosed
EP-0292824-B1 PROCESS FOR THE NUCLEAR CHLORINATION OF AROMATIC HYDROCARBONS BAYER AG (DE) 1990-08-01 — — EP disclosed
US-4851596-A Process for nucleus-chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1989-07-25 — — US disclosed
EP-0292824-A1 Process for the nuclear chlorination of aromatic hydrocarbons BAYER AG (DE) 1988-11-30 — — EP disclosed
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