SCHEMBL20101616

SCHEMBL20101616

CCCOCCOCC(C)OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.34
SPHK2 Q9NRA0 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
SCHEMBL13384514 0.88 TSHR (0.50) TDP1SMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL997848 0.86 TSHR (0.39) TDP1SMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL9221919 0.85 TSHR (0.36) TDP1SMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL3176460 0.85 TSHR (0.36) TDP1SMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL20412050 0.84 TDP1 (0.46) TDP1SMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL18705903 0.84 TSHR (0.50) TDP1SMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL28259378 0.84 TSHR (0.50) TDP1SMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL1186550 0.84 TSHR (0.42) TDP1SMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL29336223 0.82 SMN1; SMN2 (0.41) TDP1SMN1; SMN2ALDH1A1TSHRMAPK1
SCHEMBL40032 0.82 ALDH1A1 (0.47) TDP1SMN1; SMN2ALDH1A1TSHRMAPK1

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-20180155502-A1 ORGANOSILICON COMPOUNDS HAVING AMINO ACID MOIETIES, AND PROCESS FOR PREPARATION THEREOF WACKER CHEMIE AG (DE) 2018-06-07 US disclosed
US-20180118889-A1 METHOD FOR PRODUCING ORGANOSILICON COMPOUNDS HAVING AMINO ACID GROUPS WACKER CHEMIE AG (DE) 2018-05-03 US disclosed