SCHEMBL8961859

SCHEMBL8961859

CC(C)Oc1ccc2c(=O)c3ccc(OC(C)C)cc3oc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.72
KDM4E B2RXH2 8/20 0.72
HPGD P15428 5/20 0.72
KMT2A Q03164 4/20 0.72
HSD17B10 Q99714 3/20 0.72
MEN1 O00255 3/20 0.72
TP53 P04637 2/20 0.72
CYP2C9 P11712 1/20 0.72
PTGER1 P34995 1/20 0.72
PTGER3 P43115 1/20 0.72
PTGER2 P43116 1/20 0.72
PTGDR Q13258 1/20 0.72
LMNA P02545 3/20 0.61
GAA P10253 3/20 0.61
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP3A4 P08684 1/20 0.60
TSHR P16473 1/20 0.60
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60

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
SCHEMBL8961918 0.92 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL15928126 0.88 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL8961835 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL1163801 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL29627447 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL10453911 0.82 KDM4E (0.90) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL10454177 0.81 KDM4E (0.88) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL10453816 0.81 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL10452859 0.81 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDKMT2AHSD17B10
SCHEMBL10454176 0.81 KDM4E (0.88) ALDH1A1KDM4EHPGDKMT2AHSD17B10

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 8 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
JP-7002828-A None JP disclosed
US-5516794-A FOR THE TREATMENT OF BONE RESORPTION INVERNI DELLA BEEFA S.P.A. (IT) 1996-05-14 US disclosed
EP-0586960-B1 Xanthone derivatives, their preparation and use INVERNI DELLA BEFFA SPA (IT) 1996-02-07 EP disclosed
JP-H072828-A XANTHONE DERIVATIVE, ITS PREPARATION AND USE INVERNI DELLA BEFFA SPA 1995-01-06 JP disclosed
EP-0586960-A1 Xanthone derivatives, their preparation and use INVERNI DELLA BEFFA S.P.A. (IT) 1994-03-16 EP disclosed