SCHEMBL4080813

SCHEMBL4080813

CC(C)=[Ti](C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
GPR3 P46089 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
HTR2A P28223 1/20 0.37
KMT2A Q03164 3/20 0.36
ACHE P22303 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34

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
Hydrochloric Acid SCHEMBL8382785 0.78 POLB (0.33) POLBGPR3HDAC3HDAC4HDAC7
SCHEMBL25214731 0.73 HDAC3 (0.50) POLBGPR3HDAC3HDAC4HDAC7
SCHEMBL9409548 0.73 GPR3 (0.46) POLBGPR3HDAC3HDAC4HDAC7
Methyl Alcohol SCHEMBL8160610 0.73 GPR3 (0.41) POLBGPR3HDAC3HDAC4HDAC7
SCHEMBL8466615 0.71 POLB (0.39) POLBGPR3HDAC3HDAC4HDAC7
SCHEMBL7043488 0.70 HDAC3 (0.57) POLBGPR3HDAC3HDAC4HDAC7
Methyl Alcohol SCHEMBL8160175 0.70 GPR3 (0.39) POLBGPR3HDAC3HDAC4HDAC7
Methyl Alcohol SCHEMBL8154710 0.70 GPR3 (0.39) POLBGPR3HDAC3HDAC4HDAC7
SCHEMBL6910181 0.69 GPR3 (0.41) POLBGPR3HDAC3HDAC4HDAC7
SCHEMBL28557405 0.67 HDAC3 (0.54) POLBGPR3HDAC3HDAC4HDAC7

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
EP-2048170-A2 Second catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed