SCHEMBL4643653

SCHEMBL4643653

CCOC(=O)C=CC(=O)OC(C)(C(=O)Br)C(=O)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.42
MAPT P10636 8/20 0.34
ALDH1A1 P00352 5/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TP53 P04637 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ATM Q13315 1/20 0.32
MDM2 Q00987 1/20 0.31

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
SCHEMBL4641536 0.85 HCAR2 (0.42) HCAR2MAPTALDH1A1LMNANPSR1
SCHEMBL4644072 0.83 HCAR2 (0.42) HCAR2MAPTALDH1A1LMNANPSR1
SCHEMBL4642475 0.79 HCAR2 (0.36) HCAR2ALDH1A1LMNA
SCHEMBL4643871 0.78 MAPT (0.47) HCAR2MAPTALDH1A1LMNANPSR1
SCHEMBL4643595 0.76 MAPT (0.44) HCAR2MAPTALDH1A1LMNAMDM2
SCHEMBL4642012 0.75 MEN1 (0.41) MAPTALDH1A1LMNAMAPK1HSD17B10
SCHEMBL4645849 0.72 HCAR2 (0.41) HCAR2MAPTALDH1A1LMNANPSR1
SCHEMBL28004697 0.72 HCAR2 (0.55) HCAR2MAPTALDH1A1LMNANPSR1
SCHEMBL4645546 0.72 HCAR2 (0.43) HCAR2MAPTALDH1A1LMNANPSR1
SCHEMBL4641548 0.72 HCAR2 (0.43) HCAR2MAPTALDH1A1LMNANPSR1

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