SCHEMBL14028249

SCHEMBL14028249

CC(C)CCCOc1cccc(O)c1-c1cc(C2CCNCC2)c(CO)c(N)n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.62
CHUK O15111 1/20 0.56

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
SCHEMBL14028248 0.89 IKBKB (0.75) IKBKBCHUK
SCHEMBL4601103 0.86 IKBKB (0.83) IKBKBCHUK
SCHEMBL4600986 0.85 IKBKB (0.75) IKBKBCHUK
SCHEMBL14046517 0.80 IKBKB (0.67) IKBKB
SCHEMBL4600607 0.79 IKBKB (0.76) IKBKB
SCHEMBL14492109 0.79 IKBKB (0.63) IKBKBCHUK
SCHEMBL14028381 0.77 IKBKB (0.84) IKBKB
SCHEMBL14028392 0.77 IKBKB (1.00) IKBKBCHUK
SCHEMBL14028393 0.77 IKBKB (1.00) IKBKBCHUK
SCHEMBL4602290 0.76 IKBKB (0.63) IKBKB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed
US-7232909-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2007-06-19 US disclosed