SCHEMBL5050815

SCHEMBL5050815

C=CC(=O)OCC(CC)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
HPGD P15428 1/20 0.43
ALDH1A1 P00352 5/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 3/20 0.37
LAP3 P28838 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL5052714 0.83 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7600712 0.82 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3278676 0.82 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5052673 0.80 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5059025 0.78 TSHR (0.62) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11661449 0.76 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8600908 0.76 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
Phosphoric Acid SCHEMBL28000318 0.76 TSHR (0.64) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5059023 0.75 TSHR (0.53) TSHRALDH1A1THRBLAP3CYP2D6
SCHEMBL74390 0.75 TSHR (0.73) TSHRHPGDALDH1A1TP53HIF1A

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-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed