SCHEMBL7739083

SCHEMBL7739083

CCN(CC)C(=O)c1ccccc1[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
KEAP1 Q14145 1/20 0.50
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.47
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
TRPA1 O75762 1/20 0.44
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
GHSR Q92847 1/20 0.40

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
SCHEMBL7224709 0.88 TP53 (0.42) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL7219530 0.86 TP53 (0.71) TP53TSHRHPGDALDH1A1MAPT
SCHEMBL29822323 0.82 TP53 (0.69) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL610480 0.82 TP53 (0.69) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL27527013 0.80 TP53 (0.38) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL7219269 0.78 HPGD (0.49) TP53TSHRMAPK1HPGDALDH1A1
SCHEMBL7219512 0.78 HPGD (0.49) TP53TSHRMAPK1HPGDALDH1A1
SCHEMBL27351730 0.76 KEAP1 (0.48) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL29478348 0.76 TSHR (0.62) TP53KEAP1TSHRMAPK1HPGD
SCHEMBL29381824 0.76 TSHR (0.75) TP53KEAP1TSHRMAPK1HPGD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415750-C Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2008-09-03 CN disclosed
CN-1772749-A Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2006-05-17 CN disclosed
CN-1239495-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2006-02-01 CN disclosed
CN-1636457-A Fungicides for the control of take-all disease of plants MONSANTO CO (US) 2005-07-13 CN disclosed
CN-1188419-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 2005-02-09 CN disclosed
CN-1188420-C Fungicides for control of take-all disease of plants MONSANTO CO (US) 2005-02-09 CN disclosed
US-6410558-B1 USING INDOLE OR QUINOLINE COMPOUND MONSANTO TECHNOLOGY LLC 2002-06-25 US disclosed
US-6248894-B1 SUBSTITUTED PYRROLES MONSANTO COMPANY 2001-06-19 US disclosed
EP-1088481-A2 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2001-04-04 EP disclosed
US-6166057-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2000-12-26 US disclosed
US-6028101-A Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 2000-02-22 US disclosed
US-5998466-A PREPLANTING MONSANTO COMPANY (US) 1999-12-07 US disclosed
CN-1225364-A Fungicides for control of take-all disease of plants MONSANTO CO (US) 1999-08-11 CN disclosed
CN-1225365-A Fungicides for control of take-all disease of plants MONSANTO CO (US) 1999-08-11 CN disclosed
CN-1221746-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1999-07-07 CN disclosed
CN-1221745-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1999-07-07 CN disclosed
CN-1043835-C Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1999-06-30 CN disclosed
CN-1085221-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1994-04-13 CN disclosed
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed
EP-0538231-A1 Fungicides for the control of take-all disease of plants MONSANTO COMPANY (US) 1993-04-21 EP disclosed