SCHEMBL4636359

SCHEMBL4636359

C=C(C(=O)O)c1c(F)c(F)c(F)c(F)c1CC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.31
HCAR2 Q8TDS4 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
SCHEMBL7862999 0.79 SMN1; SMN2 (0.42) PKMSMN1; SMN2HTTHCAR2
SCHEMBL29926635 0.79 SMN1; SMN2 (0.42) PKMSMN1; SMN2HTTHCAR2
SCHEMBL757647 0.79 CES2 (0.37) PKMSMN1; SMN2HTT
SCHEMBL8111635 0.75 PKM (0.38) PKMSMN1; SMN2HTT
SCHEMBL27346255 0.74 PKM (0.35) PKMSMN1; SMN2HTT
SCHEMBL11936748 0.74 SMN1; SMN2 (0.41) PKMSMN1; SMN2HTTHCAR2
SCHEMBL4617375 0.74
SCHEMBL10981379 0.73 SMN1; SMN2 (0.39) PKMSMN1; SMN2HTTHCAR2
SCHEMBL29175214 0.71 CYP1A2 (0.38) PKMSMN1; SMN2HTT
SCHEMBL22408578 0.69 SMN1; SMN2 (0.38) PKMSMN1; SMN2HTTHCAR2

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
EP-1940797-A2 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Array Biopharma, Inc. (US) 2008-07-09 EP disclosed
WO-2007024612-A2 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS ARRAY BIOPHARMA INC. (US) 2007-03-01 WO disclosed