SCHEMBL8577456

SCHEMBL8577456

C=C(C(=C)c1ccccc1)c1ccccc1.C[Ti](C)C1c2ccccc2-c2ccccc21.[SiH4]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
LMNA P02545 2/20 0.31
ATM Q13315 3/20 0.31
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 2/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
HBB P68871 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
XBP1 P17861 1/20 0.30

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
SCHEMBL8466615 0.84 POLB (0.39) GPR3POLBKMT2AMEN1LMNA
SCHEMBL9409548 0.81 GPR3 (0.46) GPR3POLBKMT2AMEN1LMNA
SCHEMBL8466173 0.79 GPR3 (0.33) GPR3POLBKMT2AHDAC3HDAC4
SCHEMBL8467163 0.71 MEN1 (0.33) KMT2AMEN1ATM
SCHEMBL50199 0.69 CES1 (0.47) POLBKMT2AMEN1LMNAATM
SCHEMBL8677462 0.69
Methyl Alcohol SCHEMBL8160610 0.67 GPR3 (0.41) GPR3POLBKMT2AMEN1LMNA
SCHEMBL8829796 0.67 MAPT (0.46) POLBKMT2AMEN1LMNAATM
SCHEMBL6567125 0.67 GPR3 (0.33) GPR3
SCHEMBL27844735 0.66 POLB (0.43) POLBLMNAATMTDP1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767795-B1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM DOW CHEMICAL CO (US) 1999-12-22 EP disclosed
EP-0767795-A1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP disclosed
WO-1996000734-A1 GROUP 4 METAL DIENE COMPLEXES AND ADDITION POLYMERIZATION CATALYSTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed