SCHEMBL4647799

SCHEMBL4647799

CCC(OC(=O)/C=C\C(=O)OC)C(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 4/20 0.45
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PAM P19021 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 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
SCHEMBL4644578 1.00 KLK7 (0.45) KLK7TSHRMAPTALDH1A1MAPK1
SCHEMBL4641572 0.90 TSHR (0.43) KLK7TSHRMAPTALDH1A1MAPK1
SCHEMBL4641912 0.90 TSHR (0.43) KLK7TSHRMAPTALDH1A1MAPK1
SCHEMBL4642725 0.90 MAPT (0.50) KLK7TSHRMAPTALDH1A1MAPK1
SCHEMBL4646779 0.90 MAPT (0.50) KLK7TSHRMAPTALDH1A1MAPK1
SCHEMBL4642037 0.88 TDP1 (0.44) MAPTSMN1; SMN2HCAR2
SCHEMBL4644734 0.88 TDP1 (0.44) MAPTSMN1; SMN2HCAR2
SCHEMBL4648058 0.85 TSHR (0.50) KLK7TSHRMAPTALDH1A1MAPK1
SCHEMBL4645106 0.85 TSHR (0.50) KLK7TSHRMAPTALDH1A1MAPK1
SCHEMBL6553849 0.82 TSHR (0.41) TSHRMAPTALDH1A1MAPK1L3MBTL1

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