SCHEMBL8564440

SCHEMBL8564440

CC(C)Oc1c(-c2ccccc2Br)c(=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAUR Q03405 1/20 0.39
▸ KMT2A Q03164 5/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ ALDH1A1 P00352 6/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ MAPT P10636 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ POLB P06746 4/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ RAB9A P51151 4/20 0.33
▸ CDC25B P30305 4/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CDC25A P30304 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33

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
SCHEMBL8564127 0.76 KMT2A (0.39) KMT2ACA1CA2CA7CA9
SCHEMBL3943393 0.75 MAPT (0.46) KMT2AALDH1A1MAPK1MAPTMEN1
SCHEMBL8569652 0.75 PTGS2 (0.36) PLAURKMT2ACA1CA2CA7
SCHEMBL367342 0.74 CA1 (0.49) PLAURKMT2ACA1CA2CA7
SCHEMBL7541194 0.72 HTT (0.33) KMT2AALDH1A1MAPK1MAPTMEN1
SCHEMBL12849814 0.72 PDE7A (0.36) KMT2AALDH1A1MAPK1MAPTMEN1
SCHEMBL12849807 0.72 S100A4 (0.35) KMT2ACA1CA2CA7CA9
SCHEMBL12849803 0.69 L3MBTL1 (0.49) KMT2AALDH1A1MAPK1MAPTMEN1
SCHEMBL12849446 0.69 MAPK1 (0.45) KMT2AALDH1A1MAPK1MAPTMEN1
SCHEMBL734610 0.66 ALDH1A3 (0.32) KMT2A

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
WO-2011034051-A1 NOVEL CYCLIC SQUARAMIDE DERIVATIVES 参天製薬株式会社 (JP) 2011-03-24 — — WO disclosed
EP-0649424-B1 DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS KNOLL AG (DE) 1998-10-07 — — EP disclosed
US-5627191-A Therapeutic agents THE BOOTS COMPANY PLC (GB) 1997-05-06 — — US disclosed
EP-0649424-A1 DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS Knoll AG (DE) 1995-04-26 — — EP disclosed
WO-1994001436-A1 DIOXCYCLOBUTENE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS THE BOOTS COMPANY PLC (GB) 1994-01-20 — — WO disclosed
Send feedback