SCHEMBL7395807

SCHEMBL7395807

CC(C)(C)OC(=O)NCCOc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.49
▸ CA1 P00915 5/20 0.49
▸ CA2 P00918 5/20 0.49
▸ CA9 Q16790 5/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ PDK2 Q15119 1/20 0.48
▸ KMT2A Q03164 2/20 0.46
▸ MDM2 Q00987 1/20 0.46
▸ BCHE P06276 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ IDO1 P14902 1/20 0.41

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
SCHEMBL1687115 0.87 EPHX2 (0.52) EPHX2KMT2AMDM2IDO1
SCHEMBL15137239 0.86 MDM2 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL27810168 0.86 EPHX2 (0.60) EPHX2KMT2AMDM2IDO1
SCHEMBL7394109 0.85 CA12 (0.46) CA12CA1CA2CA9PDK2
SCHEMBL7395805 0.84 CA12 (0.47) CA12CA1CA2CA9PDK2
SCHEMBL17207791 0.84 MDM2 (0.45) CA12CA1CA2CA9PDK2
SCHEMBL6757497 0.84 CA12 (0.45) CA12CA1CA2CA9PDK2
SCHEMBL6626053 0.84 CA12 (0.45) CA12CA1CA2CA9PDK2
SCHEMBL15142312 0.84 MDM2 (0.51) KMT2AMDM2
SCHEMBL15136706 0.84 MDM2 (0.47) CA12CA1CA2CA9KMT2A

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-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 — — EP disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 — — WO disclosed
Send feedback