SCHEMBL6143038

SCHEMBL6143038

COc1cc(C=C2C(=O)CC(C)(C)CC2=O)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.63
▸ KMT2A Q03164 7/20 0.63
▸ MEN1 O00255 6/20 0.63
▸ ALDH1A1 P00352 6/20 0.63
▸ MAPT P10636 5/20 0.63
▸ GAA P10253 3/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ MAPK1 P28482 2/20 0.58
▸ POLB P06746 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ GSK3B P49841 3/20 0.56
▸ CDC7 O00311 2/20 0.56
▸ DAPK3 O43293 2/20 0.56
▸ DYRK3 O43781 2/20 0.56
▸ MAP4K4 O95819 2/20 0.56

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
SCHEMBL13936247 0.87 KMT2A (0.62) PAX8KMT2AMEN1ALDH1A1MAPT
SCHEMBL28606256 0.79 KMT2A (0.76) PAX8KMT2AMEN1ALDH1A1MAPT
SCHEMBL30019922 0.77 KMT2A (1.00) PAX8KMT2AMEN1ALDH1A1MAPT
SCHEMBL13848480 0.77 KMT2A (1.00) PAX8KMT2AMEN1ALDH1A1MAPT
SCHEMBL8994653 0.76 KMT2A (0.76) PAX8KMT2AMEN1ALDH1A1MAPT
SCHEMBL2024634 0.76 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1MAPTCYP1A2
SCHEMBL15421615 0.75 ALDH1A1 (0.80) PAX8KMT2AMEN1ALDH1A1MAPT
SCHEMBL24510580 0.74 MAPT (1.00) PAX8KMT2AMEN1ALDH1A1MAPT
SCHEMBL6851610 0.74 MAPT (1.00) PAX8KMT2AMEN1ALDH1A1MAPT
SCHEMBL29857079 0.74 MAPT (1.00) PAX8KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1882602-A Modulation and degradation of hyaluronan synthesis in the treatment of disease MEDITECH RES LTD (AU) 2006-12-20 — — CN claimed
EP-1575539-A1 DYE TABLETS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 — — EP claimed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 — — WO claimed
CN-1761517-A Mixing device HENKEL KGAA (DE) 2006-04-19 — — CN disclosed
EP-1575539-A1 DYE TABLETS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 — — EP disclosed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 — — WO disclosed
Send feedback