SCHEMBL7682335

SCHEMBL7682335

Cc1ccc2oc(=O)c(C(=O)Oc3cc([N+](=O)[O-])ccc3[N+](=O)[O-])cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
GAA P10253 1/20 0.58
CA12 O43570 2/20 0.57
CA9 Q16790 2/20 0.57
MAOB P27338 9/20 0.55
MAOA P21397 3/20 0.55
POLB P06746 1/20 0.54
F12 P00748 2/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL7676641 0.89 F12 (0.50) MAPTGAACA12CA9MAOB
SCHEMBL18752250 0.89 CA12 (0.56) MAPTGAACA12CA9MAOB
SCHEMBL18752252 0.87 CA12 (0.57) MAPTGAACA12CA9MAOB
SCHEMBL7682500 0.86 POLB (0.60) MAPTGAACA12CA9MAOB
SCHEMBL7675741 0.86 F2 (0.60) MAPTGAACA12CA9MAOB
SCHEMBL7681261 0.85 POLB (0.55) MAPTGAACA12CA9MAOB
SCHEMBL27951961 0.77 CA12 (0.74) MAPTGAACA12CA9MAOB
SCHEMBL30595105 0.77 CA12 (0.69) MAPTGAACA12CA9MAOB
SCHEMBL7672880 0.77 CA12 (0.69) MAPTGAACA12CA9MAOB
SCHEMBL18752273 0.76 MEN1 (0.56) CA12CA9MAOBPOLBF12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355658-B1 COUMARIN ESTERS WITH ETHER GROUPS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-03-12 US disclosed