SCHEMBL7679371

SCHEMBL7679371

O=C(O)c1cc2cc(CO)ccc2oc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 1.00
CA6 P23280 7/20 1.00
CA7 P43166 7/20 1.00
CA9 Q16790 7/20 1.00
CA14 Q9ULX7 7/20 1.00
CA5B Q9Y2D0 7/20 1.00
CA2 P00918 6/20 1.00
CA3 P07451 6/20 1.00
CA4 P22748 5/20 1.00
CA1 P00915 4/20 1.00
CA5A P35218 5/20 0.70
MAOA P21397 2/20 0.65
GPR35 Q9HC97 7/20 0.63
MAOB P27338 3/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
GRIN1 Q05586 1/20 0.63
GRIN2A Q12879 1/20 0.63
GRIN2B Q13224 1/20 0.63
GRIN2C Q14957 1/20 0.63

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
SCHEMBL14326443 0.88 CA12 (0.78) CA12CA6CA7CA9CA14
SCHEMBL11507962 0.86 CA12 (0.76) CA12CA6CA7CA9CA14
SCHEMBL8209413 0.86 CA12 (0.76) CA12CA6CA7CA9CA14
SCHEMBL7680121 0.86 CA12 (0.76) CA12CA6CA7CA9CA14
SCHEMBL8208616 0.81 CA12 (0.68) CA12CA6CA7CA9CA14
SCHEMBL14652705 0.81 F2 (0.80) CA12CA6CA7CA9CA14
SCHEMBL7678492 0.80 CA12 (1.00) CA12CA6CA7CA9CA14
SCHEMBL8208896 0.79 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL11266285 0.79 MAOA (0.71) CA12CA6CA7CA9CA14
SCHEMBL979779 0.79 MAOA (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213728-A1 SUBSTITUTED ARYL ESTERS OF COUMARIN-3-CARBOXYLIC ACID AND THEIR USE AS HOST CELL PROTEASES INHIBITORS Université de Liège (BE) 2023-11-09 WO disclosed
WO-2023213728-A1 SUBSTITUTED ARYL ESTERS OF COUMARIN-3-CARBOXYLIC ACID AND THEIR USE AS HOST CELL PROTEASES INHIBITORS Université de Liège (BE) 2023-11-09 WO disclosed
US-6355658-B1 COUMARIN ESTERS WITH ETHER GROUPS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-03-12 US disclosed
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