SCHEMBL8961840

SCHEMBL8961840

CCCCOc1ccc2c(=O)c3ccc(OCCCC)cc3oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.65
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA3 P07451 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
BCHE P06276 7/20 0.56
ACHE P22303 4/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL8868179 0.91 XDH (0.77) XDHCA12CA1CA2CA3
SCHEMBL8868004 0.88 XDH (0.72) XDHALDH1A1MAPTMAPK1
SCHEMBL1795058 0.87 XDH (0.73) XDHBCHEACHE
SCHEMBL1793686 0.87 XDH (0.56) XDHCA12CA1CA2CA3
SCHEMBL19583388 0.86 XDH (0.73) XDHBCHEACHE
SCHEMBL12240977 0.86 ALDH1A1 (0.55) XDHCA12CA1CA2CA6
SCHEMBL15003206 0.86 CYP1A2 (0.62) XDHCA12CA1CA4CA6
SCHEMBL1795724 0.85 XDH (0.56) XDHBCHEACHE
SCHEMBL1794588 0.85 XDH (0.54) XDHCA12CA1CA2CA3
SCHEMBL1796407 0.85 XDH (0.57) XDHCA12CA1CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516794-A FOR THE TREATMENT OF BONE RESORPTION INVERNI DELLA BEEFA S.P.A. (IT) 1996-05-14 US claimed
EP-0586960-B1 Xanthone derivatives, their preparation and use INVERNI DELLA BEFFA SPA (IT) 1996-02-07 EP claimed
EP-0586960-A1 Xanthone derivatives, their preparation and use INVERNI DELLA BEFFA S.P.A. (IT) 1994-03-16 EP claimed