SCHEMBL5580792

SCHEMBL5580792

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
BRD4 O60885 2/20 0.46
CREBBP Q92793 1/20 0.46
GAA P10253 1/20 0.44
HDAC1 Q13547 1/20 0.43
GLS O94925 3/20 0.42
CTSL P07711 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
PADI3 Q9ULW8 1/20 0.39
PADI4 Q9UM07 1/20 0.39
KDM4A O75164 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL29820228 0.84 CTSB (0.56) CTSBCTSSCTSKBRD4CREBBP
SCHEMBL507151 0.84 CTSB (0.56) CTSBCTSSCTSKBRD4CREBBP
SCHEMBL30504293 0.83 HDAC1 (0.56) CTSBCTSSCTSKBRD4CREBBP
SCHEMBL5581100 0.82 BRD4 (0.49) CTSBCTSSCTSKBRD4CREBBP
SCHEMBL3728033 0.81 DYRK1A (0.47) CTSBCTSSCTSKBRD4CREBBP
SCHEMBL18664426 0.81 HDAC1 (0.60) CTSBCTSSCTSKBRD4CREBBP
SCHEMBL16410240 0.80 BRD4 (0.53) CTSBCTSSCTSKBRD4CREBBP
SCHEMBL5581535 0.79 BRD4 (0.42) CTSBCTSSCTSKBRD4CREBBP
SCHEMBL6285318 0.79 CTSL (0.56) BRD4GAAGLSCTSLKDM4A
SCHEMBL28360519 0.79 BRD4 (0.46) CTSBCTSSCTSKBRD4CREBBP

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