SCHEMBL4648058

SCHEMBL4648058

COC(=O)/C=C/C(=O)OC(C)C(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
KLK7 P49862 4/20 0.43
HCAR2 Q8TDS4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PAM P19021 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4645106 1.00 TSHR (0.50) TSHRKLK7HCAR2ALDH1A1MAPK1
SCHEMBL4645343 0.88 TSHR (0.49) TSHRHCAR2ALDH1A1MAPK1L3MBTL1
SCHEMBL4643863 0.88 TSHR (0.49) TSHRHCAR2ALDH1A1MAPK1L3MBTL1
SCHEMBL4646079 0.87 KLK7 (0.52) KLK7ALDH1A1L3MBTL1SMN1; SMN2GAA
SCHEMBL4647799 0.85 KLK7 (0.45) TSHRKLK7HCAR2ALDH1A1MAPK1
SCHEMBL4644578 0.85 KLK7 (0.45) TSHRKLK7HCAR2ALDH1A1MAPK1
SCHEMBL4641572 0.83 TSHR (0.43) TSHRKLK7HCAR2ALDH1A1MAPK1
SCHEMBL4641912 0.83 TSHR (0.43) TSHRKLK7HCAR2ALDH1A1MAPK1
SCHEMBL4644615 0.82 TSHR (0.43) TSHRKLK7HCAR2ALDH1A1MAPK1
SCHEMBL4643237 0.82 TSHR (0.43) TSHRKLK7HCAR2ALDH1A1MAPK1

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 3 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