SCHEMBL20181067

SCHEMBL20181067

CCC(C)(C)CC(OC(=O)O)C(C)(C)CC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL13626135 0.85 KCNH2 (0.39) KCNH2
SCHEMBL14326415 0.72
SCHEMBL4764596 0.71
SCHEMBL14864462 0.71 KCNH2 (0.40) KCNH2SMN1; SMN2
SCHEMBL13010651 0.71 TSHR (0.34) KCNH2SMN1; SMN2
SCHEMBL9883117 0.69 CA2 (0.30)
SCHEMBL609003 0.69 TSHR (0.35) KCNH2
SCHEMBL14747615 0.68
SCHEMBL23345639 0.68 KCNH2 (0.33) KCNH2
SCHEMBL15214721 0.67 TSHR (0.31)

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-20180143547-A1 METHOD FOR PRODUCING TONER CANON KABUSHIKI KAISHA (JP) 2018-05-24 US disclosed