SCHEMBL38792

SCHEMBL38792

CC(C)(OCCO)OCCOCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 1/20 0.43
PDK1 Q15118 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL2832905 0.91 TSHR (0.56) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL20829356 0.80 ALDH1A1 (0.65) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL544745 0.79 TSHR (0.60) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL4608703 0.79 TSHR (0.60) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL4976681 0.79 TSHR (0.60) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL29212545 0.79 TSHR (0.60) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL8191937 0.79 TSHR (0.60) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL8198631 0.79 TSHR (0.60) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL277808 0.79
SCHEMBL15716951 0.79 TSHR (0.65) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1

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
WO-2011140644-A1 POLYACETAL OR POLYKETAL AND ETHER POLYMERS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-11-17 WO disclosed