SCHEMBL9620141

SCHEMBL9620141

C=C(OC1CCCC(OC)O1)C(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 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
SCHEMBL879243 0.73 CHRNB4 (0.32) HTT
SCHEMBL28992582 0.73 NAAA (0.46) ALDH1A1TSHRGAAMAPTHTT
SCHEMBL317579 0.71 NAAA (0.47) ALDH1A1TSHRMAPTKDM4EHTT
SCHEMBL9620089 0.70
SCHEMBL11941672 0.70 FKBP1A (0.33)
SCHEMBL9620140 0.70
SCHEMBL9620130 0.70 THRB (0.41) ALDH1A1TSHRHTT
SCHEMBL11100893 0.69
SCHEMBL731565 0.69
SCHEMBL6848035 0.68 ALDH1A1 (0.55) ALDH1A1TSHR

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-5108740-A Biodegradable films; sustained release ECOLAB INC. (US) 1992-04-28 US disclosed