SCHEMBL4447253

SCHEMBL4447253

CCCc1ccc(Oc2ccc(CC#CCBr)cn2)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39

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
SCHEMBL4451436 0.90 ACACB (0.40) ACACB
SCHEMBL13486307 0.84 ACACB (0.42) ACACB
SCHEMBL3203642 0.81 ACACB (0.38) ACACB
SCHEMBL13486308 0.81 ACACB (0.43) ACACB
SCHEMBL3198770 0.78 NTRK1 (0.39) ACACB
SCHEMBL3196909 0.72 ACACB (0.48) ACACB
SCHEMBL3202489 0.69 NPC1 (0.42) ACACB
SCHEMBL17050471 0.69 ACACB (0.55) ACACB
SCHEMBL16315989 0.68 CNR1 (0.52)
SCHEMBL3200435 0.68 MEN1 (0.47)

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-2010495-A2 NEW HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF Mutabilis SA (FR) 2009-01-07 EP disclosed
WO-2007135562-A2 HYDROXYPHENYL DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS S.A. (FR) 2007-11-29 WO disclosed