SCHEMBL11765866

SCHEMBL11765866

COCC(C(=O)O)=C(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
HPGD P15428 2/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL8925736 0.84 TSHR (0.33) TSHRHPGDCYP2C19MAPTALOX12
SCHEMBL8925749 0.84 TSHR (0.33) TSHRHPGDCYP2C19MAPTALOX12
SCHEMBL29087008 0.80 ALDH1A1 (0.35) TSHRHPGDNPSR1ALDH1A1
SCHEMBL6652850 0.77 FFAR3 (0.38) TSHRALDH1A1
SCHEMBL8741987 0.69 EGLN1 (0.38) TSHRMAPTNPSR1ALDH1A1
SCHEMBL6647598 0.68 EGLN1 (0.37) TSHRHPGDCYP2C19MAPTALOX12
SCHEMBL20970611 0.68 TSHR (0.47) TSHRHPGDCYP2C19MAPTALOX12
SCHEMBL6466345 0.67 TSHR (0.33) TSHRHPGDCYP2C19MAPTALOX12
SCHEMBL11150867 0.67
Methoxyacetic Acid SCHEMBL48842 0.66

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-4026826-A ALKOXYSILANES JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JA) 1977-05-31 US disclosed