SCHEMBL7303299

SCHEMBL7303299

CC(C)(C)OC(=O)CCC(O)Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ CTNNB1 P35222 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NR1D1 P20393 1/20 0.42
▸ VNN1 O95497 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ CASR P41180 1/20 0.40
▸ CDYL Q9Y232 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ ATM Q13315 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
SCHEMBL7286194 0.81 CDYL (0.56) CTSSCTSKL3MBTL1NR1D1TDP1
SCHEMBL7307013 0.78 ADRB2 (0.44) CTSSCTSKL3MBTL1NR1D1TDP1
SCHEMBL2914936 0.78 SIRT5 (0.59) CTSSCTSKL3MBTL1NR1D1TDP1
SCHEMBL9740320 0.77 CTSS (0.51) CTSSCTSKCTNNB1L3MBTL1NR1D1
SCHEMBL27647716 0.76 CTSS (0.52) CTSSCTSKCTNNB1L3MBTL1TDP1
SCHEMBL2366865 0.75 CDYL (0.48) CTSSCTSKL3MBTL1NR1D1TDP1
SCHEMBL27563011 0.75 CTSS (0.57) CTSSCTSKCTNNB1L3MBTL1NR1D1
SCHEMBL6318009 0.75 CTSS (0.57) CTSSCTSKCTNNB1L3MBTL1NR1D1
SCHEMBL7311918 0.75 CTSS (0.51) CTSSCTSKCTNNB1L3MBTL1TDP1
SCHEMBL13575223 0.75 CTSS (0.51) CTSSCTSKCTNNB1L3MBTL1NR1D1

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-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 — — EP disclosed
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