SCHEMBL16369596

SCHEMBL16369596

CC(CCCOCC1CO1)(CCOCC1CO1)OCC1CO1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.46
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL614218 0.81 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL12158820 0.80 TSHR (0.65) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL9133579 0.79 ALDH1A1 (0.55) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL4298953 0.76 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL24177617 0.76 ALDH1A1 (0.52) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17880771 0.76 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL24137575 0.76 ALDH1A1 (0.53) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL27958344 0.75 TSHR (0.69) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL25543463 0.75 TSHR (0.63) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL15429253 0.75 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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
US-20150011680-A1 BIOSOURCED EPOXIDE RESINS HAVING IMPROVED REACTIVITY UNIV MONTPELLIER II (FR) 2015-01-08 US disclosed