SCHEMBL8966988

SCHEMBL8966988

CC(C)OCCCCCCCCCBr

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DNM1 Q05193 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8629252 1.00 ALDH1A1 (0.37) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL11810243 1.00 ALDH1A1 (0.37) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL8509674 0.97
SCHEMBL11792912 0.89
SCHEMBL5163869 0.86 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL11030766 0.86 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL13864131 0.86 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL5159311 0.86 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL4609242 0.83 ALDH1A1 (0.41) ALDH1A1TSHRL3MBTL1DNM1SMN1; SMN2
SCHEMBL6632361 0.80 DNM1 (0.30) DNM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468434-B1 Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis MERRELL DOW PHARMA (US) 1996-02-28 EP disclosed
US-5348964-A Anticholesterol agents or fungicides MERRELL DOW PHARMACEUTICALS INC. (US) 1994-09-20 US disclosed
EP-0468434-A1 Novel piperidyl ethers and thioethers as inhibitors of cholesterol biosynthesis MERRELL PHARMACEUTICALS INC. (US) 1992-01-29 EP disclosed