SCHEMBL28119256

SCHEMBL28119256

C(OCC1CO1)C1CO1.FC(F)(F)COCC1CO1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 4/20 0.34
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HIF1A Q16665 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

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
SCHEMBL2547812 0.98 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL16854634 0.98 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL18290484 0.98 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1320955 0.84 TSHR (0.61) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL19862455 0.82 TSHR (0.59) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL22385137 0.81 TSHR (0.44) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL85888 0.80 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL1463851 0.80 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL16517868 0.80 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL11953272 0.80 TSHR (0.69) TSHRMAPK1ALDH1A1SMN1; 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
CN-103250469-B Salt modified inherently electrostatic dissipative polymers 路博润高级材料公司 2017-02-15 CN disclosed