SCHEMBL8878189

SCHEMBL8878189

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL6675595 0.89 CYP2C19 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15564536 0.79 NR1H2 (0.33) MAPTHIF1ATSHR
SCHEMBL4591664 0.78 CYP2C19 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11369938 0.77 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11354893 0.77 MAPT (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29967632 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8056864 0.76 MAPT (0.33) SMN1; SMN2MAPTCYP2C19HIF1A
SCHEMBL11369317 0.76 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL506540 0.76 NR1H2 (0.33) MAPTALDH1A1CYP2C19HIF1ANPSR1
SCHEMBL30159155 0.75 ADH1B (0.32) TSHR

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-5691322-A Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-11-25 US disclosed
US-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed