SCHEMBL5581100

SCHEMBL5581100

CC(C)(C)OC(=O)NCc1cccc(-c2cc(Cl)cc(-c3cccc(-c4ccccc4C(=O)O)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
CREBBP Q92793 1/20 0.49
RAB9A P51151 1/20 0.45
HDAC1 Q13547 1/20 0.44
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
APEX1 P27695 1/20 0.43
CCKBR P32239 1/20 0.42
PLA2G1B P04054 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
ACACB O00763 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5580714 0.91 ACACB (0.47) BRD4CREBBPRAB9AHDAC1APEX1
SCHEMBL5580792 0.82 CTSB (0.46) BRD4CREBBPHDAC1CTSBCTSS
SCHEMBL18664426 0.81 HDAC1 (0.60) BRD4CREBBPHDAC1CTSBCTSS
SCHEMBL5474885 0.80 CTSS (0.50) BRD4CREBBPRAB9ACTSBCTSS
SCHEMBL30504293 0.79 HDAC1 (0.56) BRD4CREBBPHDAC1CTSBCTSS
SCHEMBL12305686 0.78 BRD4 (0.57) BRD4CREBBPHDAC1CTSBCTSS
SCHEMBL24300007 0.77 BRD4 (0.56) BRD4CREBBPHDAC1CTSBCTSS
SCHEMBL5581535 0.77 BRD4 (0.42) BRD4CREBBPHDAC1CTSBCTSS
SCHEMBL5580865 0.77 CFD (0.45) PPARG
SCHEMBL16397304 0.77 FNTA (0.55) BRD4CREBBPHDAC1CTSBCTSS

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
US-20070148164-A1 Neonatal Fc receptor (FcRn)-binding polypeptide variants, dimeric Fc binding proteins and methods related thereto BIOGEN IDEC MA INC. (US) 2007-06-28 US disclosed