SCHEMBL5487422

SCHEMBL5487422

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.44
MAOB P27338 6/20 0.44
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NR4A2 P43354 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CES1 P23141 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7990104 0.79 MAOA (0.56) MAOAMAOBMAPTLMNAMAPK1
SCHEMBL21758828 0.79 MAOA (0.44) MAOAMAOBMAPTLMNAMAPK1
SCHEMBL276675 0.77 TDP1 (0.59) MAPTLMNAMAPK1USP2ALDH1A1
SCHEMBL7855197 0.76 MAOA (0.48) MAOAMAOBMAPTLMNAMAPK1
SCHEMBL9655495 0.75 F2 (0.38) MAPTLMNAMAPK1ALDH1A1L3MBTL1
SCHEMBL7986401 0.75 MAOA (0.52) MAOAMAOBMAPTLMNAMAPK1
SCHEMBL7984999 0.75 MAOA (0.52) MAOAMAOBMAPTLMNAMAPK1
SCHEMBL5818645 0.75 MAOA (0.40) MAOAMAOBMAPTLMNAMAPK1
SCHEMBL3383700 0.74 NR4A2 (0.61) MAOAMAOBMAPTLMNAMAPK1
SCHEMBL952229 0.73 MAOA (0.50) MAOAMAOBMAPTLMNAMAPK1

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
US-7291747-B2 Silicon compounds and process for preparation thereof CHISSO CORPORATION (JP) 2007-11-06 US disclosed
US-20040143081-A1 Novel silicon compounds and process for preparation thereof JNC CORPORATION (JP) 2004-07-22 US disclosed