SCHEMBL21670995

SCHEMBL21670995

CC1C2C(OCC3CO3)C(OCC3CO3)C1C1OC12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GLA P06280 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
SCHEMBL15102682 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL13135733 0.77 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL25243492 0.73 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL2754960 0.73 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL16808761 0.72 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL16808797 0.72 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL9570812 0.69
SCHEMBL14418664 0.68 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL6742901 0.67 TSHR (0.39) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL21633721 0.67 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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
EP-3080170-B1 INSERTION POLYNORBORNENE-BASED THERMOSET RESINS TRANSFERT PLUS SEC (CA) 2020-02-05 EP disclosed