SCHEMBL6663589

SCHEMBL6663589

CC(C)(C)[Si](OC(=O)CCCC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL3176375 0.95 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6545076 0.95 KDM4E (0.36) TSHRSMN1; SMN2MAPTALDH1A1CYP2C19
SCHEMBL6656947 0.91 NR4A2 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6546547 0.89 CYP2C19 (0.35) TSHRSMN1; SMN2MAPTALDH1A1CYP2C19
SCHEMBL27601469 0.88 HPGD (0.34) SMN1; SMN2ALDH1A1
SCHEMBL4641522 0.88 KDM4E (0.34) SMN1; SMN2MAPTALDH1A1VCAM1
SCHEMBL30116362 0.88 KDM4E (0.46) TSHRALDH1A1
SCHEMBL4647018 0.87 PRSS1 (0.34) SMN1; SMN2ALDH1A1CYP2C19HIF1A
SCHEMBL29072114 0.87 CES2 (0.43)
SCHEMBL4642010 0.87 ALDH1A1 (0.35) SMN1; SMN2MAPTALDH1A1

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
WO-2004005302-A1 PROCESS FOR THE PREPARATION OF ACYLOXYSILANES SIGMA COATINGS B.V. (NL) 2004-01-15 WO disclosed