SCHEMBL28530376

SCHEMBL28530376

CCCCC(C(=O)OC1CCC(C)(C)N(C)C1(C)C)(C(=O)OC1CCC(C)(C)N(C)C1(C)C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.36
NR5A1 Q13285 1/20 0.36
GAA P10253 2/20 0.32
HTT P42858 2/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.31
XBP1 P17861 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
F2R P25116 1/20 0.30
CNR2 P34972 2/20 0.30
CNR1 P21554 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
SCHEMBL38993 0.86 ALDH1A1 (0.35) NR5A2NR5A1GAAHTTALDH1A1
SCHEMBL6872525 0.86 NR5A2 (0.40) NR5A2NR5A1GAAHTTPKM
SCHEMBL29487596 0.86 ALDH1A1 (0.35) NR5A2NR5A1GAAHTTALDH1A1
SCHEMBL3623376 0.84 ALDH1A1 (0.33) NR5A2NR5A1GAAHTTALDH1A1
SCHEMBL193901 0.83 GAA (0.36) GAAHTTPKMPTGS1PTGS2
SCHEMBL27848273 0.83 ALDH1A1 (0.33) NR5A2NR5A1GAAHTTALDH1A1
SCHEMBL3632901 0.81 GAA (0.34) GAAHTTPKMALDH1A1MAPK1
SCHEMBL16305038 0.79 GAA (0.33) GAAHTTPKM
SCHEMBL9231435 0.78 GAA (0.32) GAAHTTPKMPTGS1PTGS2
SCHEMBL29379775 0.77 NR5A2 (0.37) NR5A2NR5A1GAAHTTPKM

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
CN-108495888-B Additive mixture for stabilizing polyols and polyurethanes 巴斯夫欧洲公司 2021-03-02 CN disclosed