SCHEMBL11784286

SCHEMBL11784286

CC(C)(C(=O)O)c1cccc(Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL3136256 0.84 KMT2A (0.41) CA2MAPTKMT2APDK1PDK2
Phenyl Propionic Acid SCHEMBL7528840 0.84 KEAP1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31189227 0.81 PRNP (0.37) CA2MAPTKMT2ATAS2R14PDK1
SCHEMBL5322102 0.81 PRNP (0.37) CA2MAPTKMT2ATAS2R14PDK1
SCHEMBL6681932 0.74 CA2 (0.48) CA2NPSR1ALDH1A1HSD11B1
SCHEMBL10790903 0.74 CA2 (0.37) CA2ALDH1A1HSD17B10HSD11B1ALOX15
SCHEMBL5199903 0.73 CYP2C9 (0.50) MAPTKMT2ANPSR1TAS2R14HDAC3
SCHEMBL1828511 0.72 PDK1 (0.41) CA2MAPTKMT2APDK1PDK2
SCHEMBL2967568 0.72 CA1 (0.40) CA2MAPTKMT2APDK1PDK2
SCHEMBL28393925 0.71 CA2 (0.45) CA2MAPTNPSR1HDAC4HDAC2

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-3957915-A ADDING 1,2-DIBROMO-2-PHENYLPROPANE OR METHYL 2,3-DIBROMO-3-PHENYLPROPIONATE STANDARD OIL COMPANY (US) 1976-05-18 US disclosed