SCHEMBL6902436

SCHEMBL6902436

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.38
HTR2A P28223 2/20 0.38
SLC22A2 O15244 1/20 0.34
SLC22A3 O75751 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
POLB P06746 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ACHE P22303 3/20 0.31
BCHE P06276 2/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL2049917 0.74 GPR3 (0.34) GPR3HTR2ASLC22A2SLC22A3HDAC3
Hydrochloric Acid SCHEMBL7106685 0.71 GPR3 (0.39) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL6911536 0.71 POLB (0.41) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL6905916 0.69 MAPT (0.34) GPR3HTR2ASLC22A2SLC22A3HDAC3
Hydrochloric Acid SCHEMBL7109762 0.67 ACHE (0.36) GPR3HTR2ASLC22A2SLC22A3POLB
SCHEMBL5343918 0.66 GPR3 (0.46) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL40598 0.66 GPR3 (0.46) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL11590031 0.66 GPR3 (0.46) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL31266545 0.66 GPR3 (0.46) GPR3HTR2ASLC22A2SLC22A3HDAC3
SCHEMBL6547416 0.65 GPR3 (0.41) GPR3HTR2ASLC22A2SLC22A3HDAC3

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
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed