SCHEMBL16808797

SCHEMBL16808797

C1OC1COC1C2CC(C1OC[C@H]1CO1)C1OC21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL16808761 1.00 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL18177808 0.91 TSHR (0.34) ALDH1A1TSHRSMN1; SMN2
SCHEMBL13135733 0.80 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL25243492 0.77 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL16808762 0.73 TSHR (0.31) ALDH1A1TSHR
SCHEMBL2571985 0.72 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1
SCHEMBL21670995 0.72 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL16808774 0.72 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL14517851 0.71 TSHR (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL12907811 0.71 ALDH1A1 (0.33) ALDH1A1TSHR

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-2015085428-A1 INSERTION POLYNORBORNENE-BASED THERMOSET RESINS TRANSFERT PLUS, SOCIÉTÉ EN COMMANDITE (CA) 2015-06-18 WO disclosed