SCHEMBL27677488

SCHEMBL27677488

COC(C)OOCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 8/20 0.39
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 4/20 0.36
MAPK1 P28482 1/20 0.36
GLA P06280 1/20 0.32
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
PPARG P37231 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL539146 0.78
SCHEMBL9857408 0.75 TSHR (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28524501 0.75 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28522210 0.75 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL9330280 0.72
SCHEMBL1847780 0.72 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28515488 0.72 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL1286321 0.71 TSHR (0.52) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL4339190 0.71 TSHR (0.50) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL15407425 0.71 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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
CN-100415805-C Substituent polyphosphonitrile, prepartion method and application CHINESE ACAD INST CHEMISTRY (CN) 2008-09-03 CN disclosed
CN-1916051-A Substituent polyphosphonitrile, prepartion method and application CHEMISTRY INST C A S (CN) 2007-02-21 CN disclosed