SCHEMBL6919259

SCHEMBL6919259

C=C(CC)C(=O)OCCOC(=O)CO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
TSHR P16473 3/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ADRA2A P08913 1/20 0.33
ADRA1A P35348 1/20 0.33
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
CYP2C19 P33261 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 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
SCHEMBL57345 0.87 THRB (0.50) THRBTSHRNAAADGKAALDH1A1
SCHEMBL173351 0.81 TSHR (0.41) THRBTSHRNAAAALDH1A1
SCHEMBL8733322 0.80 CHRM5 (0.55) MAPTBLMTSHRADRA2AADRA1A
SCHEMBL250512 0.79 THRB (0.59) THRBMAPTBLMTSHRDGKA
SCHEMBL4619144 0.79 THRB (0.44) THRBTSHRALDH1A1
SCHEMBL1756519 0.79 THRB (0.64) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL9646938 0.79 TSHR (0.55) THRBTSHRNAAARAD52NPSR1
SCHEMBL3478021 0.79 TSHR (0.45) THRBTSHRNAAADGKACHRM1
SCHEMBL19456885 0.79 TSHR (0.50) THRBTSHRNAAARAD52NPSR1
SCHEMBL9690995 0.78 THRB (0.48) THRBMAPTTSHRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024152-A1 Gas hydrate formation inhibitor and method for inhibiting gas hydrate formation with the same MITSUBISHI RAYON CO., LTD. (JP) 2004-02-05 US disclosed
US-20030130454-A1 Process for producing amphipathic polymers MITSUBISHI RAYON CO., LTD. 2003-07-10 US disclosed