SCHEMBL8961843

SCHEMBL8961843

CCCCOc1cc2oc3cc(OCCCC)ccc3cc-2c(=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.60
CA9 Q16790 6/20 0.60
CA1 P00915 5/20 0.60
CA6 P23280 3/20 0.60
CA7 P43166 3/20 0.60
CA14 Q9ULX7 3/20 0.60
CA5B Q9Y2D0 3/20 0.60
CA2 P00918 2/20 0.60
CA4 P22748 2/20 0.60
CA3 P07451 1/20 0.60
CA5A P35218 2/20 0.53
MAOB P27338 5/20 0.50
MAOA P21397 4/20 0.50
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GLA P06280 2/20 0.50

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
SCHEMBL8961870 0.86 CA9 (0.53) CA12CA9CA1CA6CA7
7-Butoxycoumarin SCHEMBL6686295 0.76 CA12 (1.00) CA12CA9CA1CA6CA7
SCHEMBL8961864 0.76 MEN1 (0.50) CA12CA9MAOBMAOANPC1
SCHEMBL18535597 0.74 MAOB (0.62) CA12CA9CA1CA6CA7
SCHEMBL28724124 0.74 CA12 (0.65) CA12CA9CA1CA6CA7
SCHEMBL18535513 0.73 MAOB (0.61) CA12CA9CA1CA6CA7
SCHEMBL14329518 0.73 CA12 (0.94) CA12CA9CA1CA6CA7
SCHEMBL1601185 0.73 CA9 (0.56) CA12CA9CA1CA6CA7
SCHEMBL19040033 0.73 CA12 (0.55) CA12CA9CA1CA6CA7
SCHEMBL16266527 0.73 CA12 (0.55) CA12CA9CA1CA6CA7

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
EP-0586960-B1 Xanthone derivatives, their preparation and use INVERNI DELLA BEFFA SPA (IT) 1996-02-07 EP claimed