SCHEMBL8208136

SCHEMBL8208136

CCC(=O)OC(OC(=O)CC)(OC(=O)CC)c1ccc2oc(=O)c(C(=O)O)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.54
CA6 P23280 6/20 0.54
CA7 P43166 6/20 0.54
CA9 Q16790 6/20 0.54
CA14 Q9ULX7 6/20 0.54
CA5B Q9Y2D0 6/20 0.54
CA2 P00918 5/20 0.54
MAOB P27338 5/20 0.54
CA1 P00915 4/20 0.54
CA5A P35218 4/20 0.54
CA4 P22748 4/20 0.54
CA3 P07451 5/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
MAOA P21397 3/20 0.52
GPR35 Q9HC97 4/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51

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
SCHEMBL7672610 0.78 MEN1 (0.48) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8207235 0.77 CA12 (0.64) CA12CA6CA7CA9CA14
SCHEMBL8210799 0.76 CA12 (0.54) CA12CA6CA7CA9CA14
SCHEMBL11507962 0.73 CA12 (0.76) CA12CA6CA7CA9CA14
SCHEMBL11337551 0.73 ALDH1A1 (0.72) CA12CA6CA7CA9CA14
SCHEMBL2808135 0.71 MAOB (1.00) CA12CA6CA7CA9CA14
SCHEMBL26603107 0.71 KDM4E (0.69) CA12CA6CA7CA9CA14
SCHEMBL978456 0.71 KDM4E (1.00) CA12CA6CA7CA9CA14
SCHEMBL29963204 0.71 KDM4E (1.00) CA12CA6CA7CA9CA14
SCHEMBL8209478 0.70 CA12 (0.61) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988298-A1 COUMARIN DERIVATIVES, METHODS OF PREPARATION AND APPLICATION AS MEDICINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-03-29 EP disclosed
WO-1998055472-A1 COUMARIN DERIVATIVES, METHODS OF PREPARATION AND APPLICATION AS MEDICINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1998-12-10 WO disclosed