SCHEMBL6699050

SCHEMBL6699050

O=C(CBr)Oc1ccccc1OC(=O)CBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.48
PTPN1 P18031 2/20 0.43
GSK3B P49841 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
ACHE P22303 1/20 0.40
SERPINE1 P05121 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGDS O60760 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9615762 0.90 MAPT (0.55) PTGS2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL5835024 0.86 TDP1 (0.55) PTGS2L3MBTL1KDM4EATMTDP1
SCHEMBL15442189 0.86 PTK2B (0.45) PTGS2MAPTMEN1KMT2ARECQL
Bromoaspirin SCHEMBL6691615 0.84 KDM4E (0.61) PTGS2ALDH1A1MAPTKDM4EMEN1
SCHEMBL554848 0.84 ALDH1A1 (0.55) PTGS2ALDH1A1MAPTMEN1KMT2A
SCHEMBL12860980 0.82 PKM (0.55) PTGS2ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL13766122 0.82 TDP1 (0.50) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL27491211 0.82 PTGS2 (0.41) PTGS2PTPN1GSK3BALDH1A1L3MBTL1
SCHEMBL5302718 0.82 CES2 (0.47) PTGS2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11466604 0.82 ALDH1A1 (0.56) PTPN1ALDH1A1L3MBTL1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed