SCHEMBL27770429

SCHEMBL27770429

CCOC(=O)Cc1ccc([Si](C)(C)C)s1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.43
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL16564352 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TSHRTRPM8MEN1
SCHEMBL16563690 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TSHRTRPM8MEN1
SCHEMBL13141342 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1TSHRTRPM8POLB
SCHEMBL5582083 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSHRTRPM8POLB
SCHEMBL10316436 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSHRTRPM8MEN1
SCHEMBL24614582 0.78 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TSHRTRPM8MEN1
SCHEMBL16714140 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSHRTRPM8MEN1
SCHEMBL6669468 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSHRTRPM8MEN1
SCHEMBL16564364 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSHRTRPM8MEN1
SCHEMBL27935752 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSHRTRPM8POLB

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
CN-101490003-A New alkyl esters of cyclic amino alcohols with muscarinic m3 receptor antagonist activity, useful for treating e.g. chronic bronchial obstruction, asthma and overactive bladder ASTRAZENECA AB (SE) 2009-07-22 CN disclosed