SCHEMBL20858993

SCHEMBL20858993

COc1cc(C)c(CN2CCCCC2)c(O)c1C(=O)/C=C/c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 12/20 0.60
ACHE P22303 1/20 0.47

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
SCHEMBL7030120 0.93 ABCB1 (0.67) ABCB1
SCHEMBL20858994 0.91 ABCB1 (0.58) ABCB1ACHE
SCHEMBL20858951 0.91 ABCB1 (0.51) ABCB1
SCHEMBL20858957 0.90 ABCB1 (0.59) ABCB1
SCHEMBL7027683 0.89 ABCB1 (0.58) ABCB1ACHE
SCHEMBL20858964 0.86 ABCB1 (0.49) ABCB1
SCHEMBL20858971 0.86 ABCB1 (0.56) ABCB1ACHE
SCHEMBL20858974 0.85 ABCB1 (0.57) ABCB1ACHE
SCHEMBL20858975 0.84 ABCB1 (0.47) ABCB1
SCHEMBL7030123 0.84 ABCB1 (0.57) ABCB1

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-2429292-B1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER GEORGIA STATE UNIV RESEARCH FOUNDATION (US) 2019-04-03 EP disclosed