SCHEMBL8523579

SCHEMBL8523579

C=CC(C)(C)[Si](C)(C)C=Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 4/20 0.37
TSHR P16473 2/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL4539226 0.80 MAOB (0.42) CYP2C19ALDH1A1TSHRMAOBMEN1
SCHEMBL8191154 0.75 MAOB (0.41) CYP2C19ALDH1A1TSHRMAOBMEN1
SCHEMBL1826881 0.72 ALDH1A1 (0.42) CYP2C19ALDH1A1TSHRMAOBMEN1
SCHEMBL1826879 0.72 ALDH1A1 (0.42) CYP2C19ALDH1A1TSHRMAOBMEN1
SCHEMBL2051056 0.71 MAOB (0.46) ALDH1A1MAOBMEN1KMT2AHDAC6
SCHEMBL5845622 0.71 MAOB (0.50) CYP2C19ALDH1A1TSHRMAOBMEN1
SCHEMBL14946408 0.71 MAOB (0.50) CYP2C19ALDH1A1TSHRMAOBMEN1
SCHEMBL7649592 0.71 MAOB (0.50) CYP2C19ALDH1A1TSHRMAOBMEN1
SCHEMBL373962 0.71 MAOB (0.50) CYP2C19ALDH1A1TSHRMAOBMEN1
SCHEMBL9650544 0.69 ALDH1A1 (0.56) ALDH1A1TSHRMAOBMEN1KMT2A

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-5859277-A Silicon-containing solid support linker WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-01-12 US disclosed