SCHEMBL8024127

SCHEMBL8024127

CC1=C(C)C([Si](C)(C)NC2CCCCC2)c2cc(C)cc(C)c21.[Ti]

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
PSMB5 P28074 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
NPY1R P25929 1/20 0.31
UGT2B17 O75795 2/20 0.31
EPHX2 P34913 2/20 0.30
MAPT P10636 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
SCHEMBL7742391 0.99 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2PSMB5ALDH1A1
SCHEMBL7629470 0.78 NPSR1 (0.41) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL7644297 0.73
SCHEMBL7737208 0.71 MEN1 (0.32) MEN1KMT2A
SCHEMBL7630278 0.69 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E
SCHEMBL8709708 0.68
SCHEMBL7745096 0.67 MAOB (0.30)
SCHEMBL7745066 0.61 GAA (0.33) PSMB5UGT2B17
SCHEMBL7741876 0.60 MEN1 (0.32) MEN1KMT2A
SCHEMBL20353196 0.60 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2ALDH1A1KDM4E

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-6015868-A CATALYSIS OF HIGH TEMPERATURE, SOLUTION POLYMERIZATION WHICH YIELDS HIGH MOLECULAR WEIGHT OLEFIN POLYMERS, BY USING COORDINATION CATALYST MIXED WITH AN ACTIVATING COCATALYST, EFFICIENCY THE DOW CHEMICAL COMPANY (US) 2000-01-18 US disclosed