SCHEMBL27812067

SCHEMBL27812067

Nc1cc(C2CCNCC2)cc(-c2c(O)cccc2OCC2CC2)n1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 19/20 0.66
▸ CHUK O15111 1/20 0.66

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
SCHEMBL5426575 0.84 IKBKB (0.67) IKBKBCHUK
SCHEMBL4600986 0.81 IKBKB (0.75) IKBKBCHUK
SCHEMBL1726425 0.80 IKBKB (1.00) IKBKBCHUK
SCHEMBL30337765 0.80 IKBKB (1.00) IKBKBCHUK
Hydrochloric Acid SCHEMBL30341860 0.79 IKBKB (0.98) IKBKBCHUK
SCHEMBL14028526 0.77 IKBKB (0.70) IKBKBCHUK
SCHEMBL4601439 0.76 IKBKB (1.00) IKBKBCHUK
Hydrochloric Acid SCHEMBL4947773 0.76 IKBKB (0.69) IKBKBCHUK
SCHEMBL7104692 0.76 IKBKB (0.80) IKBKBCHUK
SCHEMBL5418958 0.75 IKBKB (0.69) IKBKBCHUK

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
CN-101842095-A Formulations, methods and targets for tumor therapy MING YU 2010-09-22 — — CN claimed
CN-102438620-A Compounds, compositions and use for anticancer therapy MING YU 2012-05-02 — — CN disclosed
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