SCHEMBL8564127

SCHEMBL8564127

Cc1ccc(-c2ccccc2-c2c(OC(C)C)c(=O)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.39
▸ MEN1 O00255 8/20 0.39
▸ POLB P06746 3/20 0.39
▸ NPC1 O15118 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 2/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL8569652 0.83 PTGS2 (0.36) KMT2AMEN1POLBNPC1MAPK1
SCHEMBL8564440 0.76 PLAUR (0.39) KMT2AMEN1POLBNPC1MAPK1
SCHEMBL3943393 0.75 MAPT (0.46) KMT2AMEN1POLBNPC1MAPK1
SCHEMBL8036362 0.70 LMNA (0.50) KMT2AMEN1POLBNPC1MAPK1
SCHEMBL3942599 0.69 PTGS2 (0.37) ALDH1A1NPSR1PTGS2
SCHEMBL7541194 0.69 HTT (0.33) KMT2AMEN1NPC1MAPK1RAB9A
SCHEMBL12849814 0.69 PDE7A (0.36) KMT2AMEN1POLBMAPK1RAB9A
SCHEMBL12849807 0.69 S100A4 (0.35) KMT2AMEN1NPC1RAB9APKM
SCHEMBL7536375 0.68 PTGS2 (0.44) KMT2AMEN1POLBMAPK1PKM
SCHEMBL9018851 0.68 ELANE (0.55) KMT2AMEN1POLBNPC1MAPK1

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
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
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