SCHEMBL27304590

SCHEMBL27304590

COC=C(C)C(=O)OCC(C)=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TRPA1 O75762 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL134385 0.80 GLO1 (0.48) MGAMGAASIMGAM2TRPA1
SCHEMBL16838265 0.80 GLO1 (0.48) MGAMGAASIMGAM2TRPA1
SCHEMBL8175057 0.80 GLO1 (0.48) MGAMGAASIMGAM2TRPA1
SCHEMBL13360690 0.78
SCHEMBL6138156 0.77 HCAR2 (0.39) GAA
SCHEMBL546535 0.77 TSHR (0.39)
SCHEMBL10553114 0.75 ALDH1A1 (0.39) MGAMGAASIMGAM2TRPA1
Ethylene Glycol SCHEMBL29055443 0.75 TSHR (0.38)
Ethylene Glycol SCHEMBL28002087 0.75 TSHR (0.38)
SCHEMBL29086980 0.75 ALDH1A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1100414-A Preparation of pharmaceutical compound containing novel derivative of leukol SMITHKLINE BECKMAN INTERCREDIT (NL) 1995-03-22 CN disclosed
CN-1027368-C Process for preparing substituted quinoline derivatives SMITHKLINE BECKMAN INTERCREDIT (NL) 1995-01-11 CN disclosed
CN-1035501-A PROCESS FOR PREPARING SUBSTITUTED QUINOLINE DERIVATIVES SMITHKLINE BECKMAN INTERCREDIT (NL) 1989-09-13 CN disclosed