SCHEMBL16097697

SCHEMBL16097697

COC(=O)c1ccccc1OC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 1/20 0.47
CACNA1A O00555 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNG3 O60359 1/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNB3 P54284 1/20 0.47
CACNA2D1 P54289 1/20 0.47
CACNG7 P62955 1/20 0.47
CACNA1B Q00975 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNB1 Q02641 1/20 0.47
CACNG1 Q06432 1/20 0.47
CACNB2 Q08289 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47
CACNA1E Q15878 1/20 0.47
CACNA2D4 Q7Z3S7 1/20 0.47
CACNA2D3 Q8IZS8 1/20 0.47
CACNG8 Q8WXS5 1/20 0.47

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
SCHEMBL16296065 0.88 KDM1A (0.53) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL15058485 0.87 USP30 (0.49) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL25234710 0.85 CTSD (0.48) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL27171986 0.83 USP30 (0.52) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL30074412 0.83 USP30 (0.52) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL25568473 0.82 PTGS1 (0.45) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL25255895 0.82 USP30 (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7403357 0.81 PDE4B (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL28612120 0.81 GPR119 (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3954269 0.81 USP30 (0.47) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 WO disclosed
EP-2968591-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF Novartis AG (CH) 2016-01-20 EP disclosed
WO-2014151030-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF NOVARTIS AG (CH) 2014-09-25 WO disclosed
WO-2014151030-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF NOVARTIS AG (CH) 2014-09-25 WO disclosed