SCHEMBL9876174

SCHEMBL9876174

CC1(C)Oc2ccc(C#N)cc2[C@@H](OC2CCCC2=O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 0.54
ABCC8 Q09428 2/20 0.54
KCNJ11 Q14654 2/20 0.54
KCNJ8 Q15842 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
LMNA P02545 1/20 0.54
KCNE1 P15382 4/20 0.48
KCNQ1 P51787 4/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KCND3 Q9UK17 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ABCB1 P08183 4/20 0.47
ALOX15 P16050 1/20 0.45

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
SCHEMBL9876547 0.77 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9875760 0.77 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9874273 0.76 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL6369151 0.76 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9874277 0.76 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL31060528 0.76 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9876543 0.73 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9876552 0.73 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL9876550 0.73 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8CYP1A2
SCHEMBL7386326 0.72 ABCC9 (0.46) 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
US-5071871-A Pharmaceutically useful benzo(β)pyranes and pyranopyridines SANDOZ LTD. (CH) 1991-12-10 US claimed