SCHEMBL16405082

SCHEMBL16405082

O=C(C1CCC(C(=O)O)C(C(=O)O)C1)C1CCC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.42
ACE P12821 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNA7 P36544 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
GRM4 Q14833 4/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM8 O00222 1/20 0.36
GRM6 O15303 1/20 0.36

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
SCHEMBL9721284 0.89 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL21664518 0.89 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL2019219 0.89 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL28799 0.89 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL2019218 0.89 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL9249263 0.89 GABRR1 (0.52) GABRR1ACEAKR1C3AKR1C1SLC1A2
Hydrochloric Acid SCHEMBL28557936 0.86 GABRR1 (0.50) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL10904621 0.80 GABRR1 (0.39) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL8623877 0.80 AKR1C3 (0.39) GABRR1ACEAKR1C3AKR1C1SLC1A2
SCHEMBL16349314 0.80 GABRR1 (0.53) GABRR1SLC1A2SLC1A1GRM4CYP2C19

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-20150056367-A1 COMPOSITION FOR FORMING LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT SOKI CORPORATION (JP) 2015-02-26 US disclosed
EP-2827188-A1 COMPOSITION FOR FORMING LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT Soki Corporation (JP) 2015-01-21 EP disclosed