SCHEMBL6908254

SCHEMBL6908254

CCCCC1=CC([Ti](Cl)(Cl)(=C(c2ccccc2)c2ccccc2)C2C=C(CCCC)c3ccccc32)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 1/20 0.31
CNR1 P21554 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL6909745 0.85 BCHE (0.35) HTR6BCHEACHECNR1
SCHEMBL6907088 0.80 BCHE (0.36) HTR6BCHEACHECNR1
Hydrochloric Acid SCHEMBL6908249 0.70 HTR6 (0.33) HTR6BCHEACHEPTGS2CNR1
SCHEMBL8161472 0.70 BCHE (0.37) HTR6BCHEACHEMEN1KMT2A
SCHEMBL6909988 0.69 PTGS2 (0.31) PTGS2CES2CES1
SCHEMBL3678038 0.68 BCHE (0.38) HTR6BCHEACHEMEN1KMT2A
SCHEMBL6910000 0.68 PDCD1 (0.32)
Hydrochloric Acid SCHEMBL3678035 0.67 ACHE (0.40) HTR6BCHEACHECNR1
SCHEMBL9959356 0.67 PTPN1 (0.43) HTR6BCHEACHECNR1
SCHEMBL8159433 0.67 BCHE (0.35) HTR6BCHEACHECNR1

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