SCHEMBL4644522

SCHEMBL4644522

COc1ccc(OC(C)=O)c(C=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
ERN1 O75460 2/20 0.57
TRIM24 O15164 1/20 0.53
TYR P14679 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
BACE1 P56817 1/20 0.53
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
F2 P00734 1/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
TUBB1 Q9H4B7 2/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 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
SCHEMBL3437173 0.90 KDM4E (0.53) ALDH1A1ERN1BACE1KDM4ERAB9A
SCHEMBL16112011 0.88 ALDH1A1 (0.61) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL9055047 0.88 ALDH1A1 (0.71) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL16045979 0.87 ALDH1A1 (0.59) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL1665643 0.85 ALDH1A1 (0.57) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL4644515 0.85 ALDH1A1 (0.57) ALDH1A1ERN1TRIM24TYRTRIM33
Formic Acid SCHEMBL27616515 0.84 BACE1 (0.48) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL11846723 0.84 BACE1 (0.50) ALDH1A1BACE1JUNNFKB1KDM4E
SCHEMBL4645650 0.84 ALDH1A1 (0.56) ALDH1A1ERN1TRIM24TYRTRIM33
SCHEMBL4642070 0.83 KDM4E (0.54) ALDH1A1ERN1TRIM24TYRTRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed
US-5808139-A CONTROLLING COMPLEXING WITH CYMOPOLY COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 1998-09-15 US disclosed
US-5677336-A ADMINISTERING TO MAMMALS TO MODULATE PROCESSES MEDIATED BY ANDROGEN RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-10-14 US disclosed
EP-0637296-A4 NON-STEROID PROGESTERONE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS AND METHODS. LIGAND PHARM INC (US) 1996-02-07 EP disclosed
WO-1995011215-A1 NON-STEROID ANDROGEN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1995-04-27 WO disclosed
EP-0637296-A1 NON-STEROID PROGESTERONE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1995-02-08 EP disclosed
WO-1994024080-A1 PROGESTERONE RECEPTOR AGONIST AND ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 1994-10-27 WO disclosed
WO-1993021145-A1 NON-STEROID PROGESTERONE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. (US) 1993-10-28 WO disclosed