SCHEMBL14345780

SCHEMBL14345780

C#CCOCC(CO)(COCC1CO1)COCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 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
SCHEMBL1768045 0.90 TSHR (0.50) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL594507 0.86 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL12677361 0.86 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1537333 0.82 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL311323 0.82 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1004395 0.81 TSHR (0.55) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL3195517 0.80 TSHR (0.34) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL21023737 0.80 TSHR (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL22394611 0.79 TSHR (0.53) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL18085532 0.78

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-2007149501-A2 PROCESS FOR PREPARING DENDRITIC POLYMERS USING MICROWAVE ASSISTED SYNTHESIS DENDRITIC NANO TECHNOLOGIES, INC. (US) 2007-12-27 WO disclosed