SCHEMBL6004752

SCHEMBL6004752

CC(C)(O)C(C)(C)OB(O)Oc1cn[nH]c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31

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
SCHEMBL3009013 0.80 KCNH2 (0.34) KCNH2
Boric Acid SCHEMBL3009015 0.78 KCNH2 (0.33) KCNH2
SCHEMBL303556 0.73 KCNH2 (0.32) KCNH2
SCHEMBL3102053 0.72 CYP1A1 (0.35)
SCHEMBL3009014 0.70 KCNH2 (0.32) KCNH2
SCHEMBL13363152 0.70 KCNH2 (0.32) KCNH2
SCHEMBL18091398 0.68 PIK3R1 (0.33)
SCHEMBL2859722 0.68 CYP3A4 (0.41)
SCHEMBL787274 0.67 SCN4A (0.36)
SCHEMBL16892565 0.65 PPARG (0.36)

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-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed