SCHEMBL2487626

SCHEMBL2487626

Cc1ccc(-c2ccccc2)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.51
HDAC7 Q8WUI4 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.44
GRM6 O15303 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
BRD9 Q9H8M2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL31290645 0.84 CYP46A1 (0.56) CYP46A1HDAC7PTGDR2L3MBTL1KDM4E
SCHEMBL9447507 0.84 EGFR (0.43) KDM4ETDP1ALDH1A1
SCHEMBL1775361 0.83 CYP46A1 (0.72) CYP46A1HDAC7PTGDR2L3MBTL1KDM4E
SCHEMBL9531321 0.82 BCAT2 (0.52) GRM6ALDH1A1LMNA
SCHEMBL29389473 0.82 BCAT2 (0.52) GRM6ALDH1A1LMNA
SCHEMBL517 0.81 SLC6A3 (0.50) GRM6L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL1665535 0.81 SLC6A3 (0.49) GRM6ALDH1A1MTNR1AMTNR1BLMNA
SCHEMBL18280416 0.81 L3MBTL1 (0.48) GRM6L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL1069726 0.80 FOLH1 (0.47) GRM6ALDH1A1MTNR1AMTNR1B
SCHEMBL539758 0.80 PTGDR2 (0.47) PTGDR2GRM6ALDH1A1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779066-B2 Process for brominating butadiene polymers using ester solvent mixtures DOW GLOBAL TECHNOLOGIES LLC (US) 2014-07-15 US disclosed
US-20140121330-A1 PROCESS FOR BROMINATING BUTADIENE POLYMERS USING ESTER SOLVENT MIXTURES THE DOW CHEMICAL COMPANY 2014-05-01 US disclosed
EP-2379605-B1 PROCESS FOR BROMINATING BUTADIENE POLYMERS USING ESTER SOLVENT MIXTURES DOW GLOBAL TECHNOLOGIES LLC (US) 2014-03-12 EP disclosed
EP-2379605-A1 PROCESS FOR BROMINATING BUTADIENE POLYMERS USING ESTER SOLVENT MIXTURES Dow Global Technologies LLC (US) 2011-10-26 EP disclosed
WO-2010080286-A1 PROCESS FOR BROMINATING BUTADIENE POLYMERS USING ESTER SOLVENT MIXTURES DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-15 WO disclosed