SCHEMBL8961870

SCHEMBL8961870

CCCOc1ccc2cc3c(=O)cc(OC(C)C)cc-3oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.53
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA6 P23280 3/20 0.53
CA7 P43166 3/20 0.53
CA14 Q9ULX7 3/20 0.53
CA5B Q9Y2D0 3/20 0.53
CA2 P00918 2/20 0.53
CA5A P35218 2/20 0.53
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 2/20 0.50
NPC1 O15118 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 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
SCHEMBL8961864 0.88 MEN1 (0.50) CA9CA12MAPTSMN1; SMN2KDM4E
SCHEMBL8961843 0.86 CA12 (0.60) CA9CA12CA1CA6CA7
SCHEMBL8961920 0.78 KMT2A (0.48) CA9CA12MAPTSMN1; SMN2KDM4E
SCHEMBL8961835 0.72 ALDH1A1 (0.58) CA9CA12CA1CA6CA7
7-Propoxycoumarin SCHEMBL6690398 0.70 CA9 (1.00) CA9CA12CA1CA6CA7
SCHEMBL18474355 0.69 CA9 (0.65) CA9CA12CA1CA6CA7
SCHEMBL16674827 0.69 MAOB (0.69) CA9CA12CA1CA6CA7
SCHEMBL19025085 0.68 CA9 (0.55) CA9CA12CA1CA6CA7
SCHEMBL18474356 0.67 CA12 (0.62) CA9CA12CA1CA6CA7
SCHEMBL15968696 0.67 SHBG (0.63) CA9CA12CA1CA6CA7

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