SCHEMBL7204019

SCHEMBL7204019

CCCOc1ccccc1[Si](C)(C)C1=C([Ti])CC=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.36
HTR2C P28335 1/20 0.36
CYP2A6 P11509 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR2 P34972 1/20 0.33
HTR1A P08908 1/20 0.33
ATM Q13315 1/20 0.33
TLR8 Q9NR97 1/20 0.33
MCHR1 Q99705 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP19A1 P11511 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 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
Hydrochloric Acid SCHEMBL6334279 0.89 HTR2A (0.36) HTR2BHTR2CCYP2A6HTR1ASLC6A2
Hydrochloric Acid SCHEMBL6334146 0.83 HTR2B (0.35) HTR2BHTR2CCYP2A6MEN1KMT2A
Hydrochloric Acid SCHEMBL6332895 0.81 CA1 (0.34) HTR2BHTR2CNPC1L3MBTL1
Hydrochloric Acid SCHEMBL6337031 0.80
Hydrochloric Acid SCHEMBL6334718 0.77
Hydrochloric Acid SCHEMBL6330283 0.77 NISCH (0.33)
Hydrochloric Acid SCHEMBL6334417 0.77 CYP1A2 (0.40) HTR2BMEN1KMT2ACNR2TLR8
SCHEMBL15473266 0.75 CYP1A2 (0.44) HTR2BHTR2CCYP2A6MEN1KMT2A
SCHEMBL7198400 0.73 BCHE (0.30) ATMNPC1
Hydrochloric Acid SCHEMBL6334274 0.73 ALDH1A1 (0.36) HTR2BHTR2CCYP2A6MAPTNPSR1

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
US-20030171212-A1 Transition metal compound, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-11 US disclosed