SCHEMBL5057253

SCHEMBL5057253

C=CC(=O)OCCCCC(C)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 2/20 0.56
HPGD P15428 1/20 0.51
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 2/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
FDPS P14324 1/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL5057284 0.88 TSHR (0.48) TSHRALDH1A1CYP3A4HPGDTP53
Phosphoric Acid SCHEMBL27520181 0.84 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28620248 0.81 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1259928 0.81 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL31544089 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL31544092 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL31544088 0.81 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Phosphoric Acid SCHEMBL7552988 0.80 TSHR (0.78) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25281286 0.80 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25275202 0.80 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53

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