SCHEMBL8008595

SCHEMBL8008595

CC=CNC(=O)c1c([Si](C)(C)C)sc(C)c1C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
PLA2G1B P04054 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL7217363 0.74 TSHR (0.41) ALDH1A1MAPTHPGDMAPK1MEN1
SCHEMBL8094904 0.72 POLB (0.44) ALDH1A1MAPTLMNAPLA2G1BHPGD
SCHEMBL16993653 0.71 AIP (0.44) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL7219539 0.61 RAB9A (0.40) ALDH1A1MAPTHPGDGAA
SCHEMBL7217850 0.61 RAB9A (0.40) ALDH1A1MAPTHPGDGAA
SCHEMBL7217843 0.61 RAB9A (0.40) ALDH1A1MAPTHPGDGAA
SCHEMBL8527767 0.61 KDM4E (0.31) MAPTHPGDKMT2A
SCHEMBL15200642 0.59 MEN1 (0.49) MAPTLMNAMEN1GAAHTT
SCHEMBL7026519 0.57
SCHEMBL6899259 0.57

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-6037478-A Synthesis of 3-carbomethoxy-4,5-dimethylthiophene MONSANTO COMPANY (US) 2000-03-14 US claimed