SCHEMBL4644615

SCHEMBL4644615

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
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
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.37
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
CNR2 P34972 1/20 0.36
KLK7 P49862 1/20 0.36

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
SCHEMBL4643237 1.00 TSHR (0.43) TSHRADRB2ADRB1ADRB3HCAR2
SCHEMBL4644386 0.90 MAPT (0.49) TSHRADRB2ADRB1ADRB3HCAR2
SCHEMBL4647772 0.90 MAPT (0.49) TSHRADRB2ADRB1ADRB3HCAR2
SCHEMBL6553849 0.87 TSHR (0.41) TSHRADRB2ADRB1ADRB3HCAR2
SCHEMBL4647774 0.82 MAPT (0.49) TSHRHCAR2ALDH1A1MAPK1L3MBTL1
SCHEMBL4645084 0.82 MAPT (0.49) TSHRHCAR2ALDH1A1MAPK1L3MBTL1
SCHEMBL4645073 0.82 MAPT (0.49) TSHRHCAR2ALDH1A1MAPK1L3MBTL1
SCHEMBL4645106 0.82 TSHR (0.50) TSHRADRB2ADRB1ADRB3HCAR2
SCHEMBL4648058 0.82 TSHR (0.50) TSHRADRB2ADRB1ADRB3HCAR2
SCHEMBL4644624 0.81 TSHR (0.38) TSHRADRB2ADRB1ADRB3HCAR2

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