SCHEMBL5050857

SCHEMBL5050857

C=CC(=O)OCCCCCCP(=O)(O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.70
ALDH1A1 P00352 4/20 0.70
CYP3A4 P08684 3/20 0.70
HPGD P15428 1/20 0.53
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
LPAR3 Q9UBY5 4/20 0.41
LPAR2 Q9HBW0 3/20 0.41
TYMS P04818 1/20 0.39
THRB P10828 2/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL28268629 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2943780 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL31050900 1.00 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL296574 0.98 TSHR (0.67) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL42398 0.92 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2604914 0.88 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2604872 0.88 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2604890 0.88 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12895912 0.86 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12895901 0.86 TSHR (0.61) 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