SCHEMBL4558375

SCHEMBL4558375

CC(C)(C)N[Ti](C)(C)C1c2ccccc2-c2ccccc21.[SiH4]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.35
HTR2A P28223 1/20 0.35
ACHE P22303 3/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
BCHE P06276 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 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
NCOR2 Q9Y618 1/20 0.32
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 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
SCHEMBL28973379 0.98 GPR3 (0.36) GPR3HTR2AACHEKMT2APOLB
SCHEMBL8522938 0.92 POLB (0.33) GPR3HTR2AKMT2APOLBHDAC3
Butadiene SCHEMBL8524026 0.92 GPR3 (0.31) GPR3HTR2A
SCHEMBL8523391 0.87
SCHEMBL821476 0.85
SCHEMBL87654 0.79
Butadiene SCHEMBL83948 0.79
SCHEMBL5611100 0.76
SCHEMBL7867045 0.75 MAOB (0.34)
Butadiene SCHEMBL7592871 0.73

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
EP-2048168-A2 Process for producing 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
WO-2007023618-A1 HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-01 WO disclosed