SCHEMBL2880116

SCHEMBL2880116

COc1cc2c(cc1N)OC(C)(C)C(O)[C@H]2OC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.39
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
IDO1 P14902 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MIF P14174 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30
STS P08842 1/20 0.30

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
SCHEMBL2880113 1.00 ABCC9 (0.39) ABCC9ALOX15ALOX12ALDH1A1L3MBTL1
SCHEMBL5988534 0.85 ABCC9 (0.35) ABCC9ALOX15ALOX12
SCHEMBL5988536 0.85 ABCC9 (0.35) ABCC9ALOX15ALOX12
SCHEMBL5988198 0.84 ABCC9 (0.35) ABCC9
SCHEMBL5988200 0.84 ABCC9 (0.35) ABCC9
SCHEMBL2891183 0.82 KCNH2 (0.40) ABCC9ALDH1A1LMNAHTT
SCHEMBL2891954 0.82 ALDH1A1 (0.39) ABCC9ALDH1A1STS
SCHEMBL5988553 0.82 ALDH1A1 (0.39) ABCC9ALDH1A1STS
SCHEMBL5994241 0.80 KCNE1 (0.36) ABCC9STS
SCHEMBL5994237 0.80 KCNE1 (0.36) ABCC9STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
EP-1718629-A2 BENZOPYRAN COMPOUNDS USEFUL FOR THE TREATMENT OF ARRHYTMIA Nissan Chemical Industries, Ltd. (JP) 2006-11-08 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO disclosed
WO-2005080368-A2 BENZOPYRAN COMPOUND USEFUL FOR THE TREATMENT OF ARRHYTMIA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-01 WO disclosed