SCHEMBL8980551

SCHEMBL8980551

COC(=O)c1cc(C)c(C)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.57
▸ CA1 P00915 5/20 0.57
▸ CA2 P00918 5/20 0.57
▸ CA7 P43166 5/20 0.57
▸ CA9 Q16790 5/20 0.57
▸ CA14 Q9ULX7 5/20 0.57
▸ PDK2 Q15119 1/20 0.57
▸ PDK4 Q16654 1/20 0.57
▸ GAA P10253 4/20 0.53
▸ LMNA P02545 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ ACHE P22303 1/20 0.50
▸ MYC P01106 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HPGD P15428 2/20 0.47
▸ POLB P06746 3/20 0.47
▸ XDH P47989 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ NFKB1 P19838 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
SCHEMBL27902660 0.89 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL9128543 0.89 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL4906052 0.89 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL1109633 0.86 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL232535 0.86 MAPT (0.48) CA12CA1CA2CA7CA9
SCHEMBL730244 0.85 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL24329590 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL7177999 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL20802859 0.84 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL168271 0.84 CA12 (0.50) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 — — EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 — — WO disclosed
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