SCHEMBL9701977

SCHEMBL9701977

CC(=O)O[C@H]1[C@H](N2CCCC2=O)c2cc(C#N)ccc2C(=O)C1(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 5/20 0.57
ABCC8 Q09428 2/20 0.57
KCNJ11 Q14654 2/20 0.57
KCNJ8 Q15842 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 1/20 0.57
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB1 P08183 7/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL9590280 1.00 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9703931 0.86 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9587950 0.86 ABCC9 (0.66) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9587584 0.85 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10914469 0.84 ABCC9 (0.75) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10914471 0.84 ABCC9 (0.75) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL10914476 0.84 ABCC9 (0.75) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9701739 0.79 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9589428 0.79 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL18353927 0.76 ABCC9 (0.68) ABCC9ABCC8KCNJ11KCNJ8CYP1A2

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-0489300-A2 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-10 EP disclosed