SCHEMBL9565067

SCHEMBL9565067

CC1(C)C(=O)c2ccc(C#N)cc2[C@@H](Oc2ccc(O)nn2)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.34
KDM4E B2RXH2 1/20 0.31
ABCC8 Q09428 2/20 0.31
KCNJ11 Q14654 2/20 0.31
KCNJ8 Q15842 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 1/20 0.31
LMNA P02545 1/20 0.31
KCNH2 Q12809 1/20 0.31
HSD11B1 P28845 1/20 0.30
HSD11B2 P80365 1/20 0.30
KCNE1 P15382 3/20 0.30
KCNQ1 P51787 3/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
KCND3 Q9UK17 1/20 0.30

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
SCHEMBL9565070 1.00 ABCC9 (0.34) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL9565108 1.00 ABCC9 (0.34) ABCC9KDM4EABCC8KCNJ11KCNJ8
SCHEMBL9565039 0.84 LMNA (0.33) LMNA
SCHEMBL9565036 0.84 LMNA (0.33) LMNA
SCHEMBL9565042 0.84 LMNA (0.33) LMNA
SCHEMBL9565078 0.81 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9565076 0.81 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9565074 0.81 ABCC9 (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9565086 0.78 ABCC9 (0.35) ABCC9KDM4ECYP3A4
SCHEMBL9565085 0.78 ABCC9 (0.35) ABCC9KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525768-A1 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1993-02-03 EP claimed
EP-0525768-A1 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1993-02-03 EP disclosed