SCHEMBL8961835

SCHEMBL8961835

CCCOc1ccc2c(=O)c3ccc(OC(C)C)cc3oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 6/20 0.58
HPGD P15428 6/20 0.58
HSD17B10 Q99714 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TP53 P04637 2/20 0.58
CYP2C9 P11712 1/20 0.58
PTGER1 P34995 1/20 0.58
PTGER3 P43115 1/20 0.58
PTGER2 P43116 1/20 0.58
PTGDR Q13258 1/20 0.58
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 3/20 0.53
MAPT P10636 3/20 0.53
MAPK1 P28482 2/20 0.53
XDH P47989 4/20 0.53
CYP11B1 P15538 1/20 0.53
CYP11B2 P19099 1/20 0.53

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
SCHEMBL8961859 0.87 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL8961840 0.84 XDH (0.65) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL19583388 0.83 XDH (0.73) XDHRAB9ANPC1BCHEACHE
SCHEMBL12240977 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL8961918 0.80 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL12240964 0.79 XDH (0.54) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL11859295 0.79 KMT2A (0.69) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL15003206 0.78 CYP1A2 (0.62) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL15928126 0.77 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL1798693 0.77 XDH (0.64) XDHBCHEACHE

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