SCHEMBL8967602

SCHEMBL8967602

CCS(=O)(=O)CCN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MBTD1 Q05BQ5 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
CYP2D6 P10635 1/20 0.36
LOX P28300 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
SCHEMBL8967437 0.85 HRH3 (0.54) SMN1; SMN2HRH3MAPTALDH1A1L3MBTL1
SCHEMBL8967504 0.84 HRH3 (0.41) SMN1; SMN2HRH3MAPTALDH1A1POLB
SCHEMBL8966731 0.82 CA2 (0.41) SMN1; SMN2HRH3ALDH1A1L3MBTL1KMT2A
SCHEMBL18803169 0.82 PAOX (0.38) SMN1; SMN2SIGMAR1
SCHEMBL8967588 0.81 CA2 (0.44) HRH3ALDH1A1
SCHEMBL8966787 0.81 CA2 (0.44) HRH3ALDH1A1
SCHEMBL27780163 0.80 HRH3 (0.41) SMN1; SMN2HRH3MAPTALDH1A1POLB
SCHEMBL1219941 0.79 HRH3 (0.44) SMN1; SMN2HRH3MAPTALDH1A1POLB
SCHEMBL10729611 0.78 POLB (0.41) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL11331599 0.78 HRH3 (0.35) SMN1; SMN2HRH3MAPTALDH1A1POLB

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