Sugi Predict

Sugi Predict / Compounds / SCHEMBL5322356

SCHEMBL5322356

SCHEMBL5322356

O=CCOC(CC(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 1/20 0.43
▸ GABBR1 Q9UBS5 1/20 0.43
▸ FFAR1 O14842 14/20 0.43
▸ CYP2C19 P33261 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL16416740 0.87 CYP2D6 (0.44) GABBR2GABBR1CYP2C19CYP2D6KMT2A
SCHEMBL3702042 0.80 GABBR2 (0.47) GABBR2GABBR1FFAR1CYP2C19CYP2D6
SCHEMBL12530084 0.79 GABBR2 (0.46) GABBR2GABBR1FFAR1CYP2C19CYP2D6
SCHEMBL7394971 0.79 GABBR2 (0.46) GABBR2GABBR1FFAR1CYP2C19CYP2D6
SCHEMBL5040797 0.79 LMNA (0.39) CYP2D6KMT2A
SCHEMBL1670315 0.79 FFAR1 (0.62) FFAR1
SCHEMBL12530277 0.79 GABBR2 (0.46) GABBR2GABBR1FFAR1CYP2C19CYP2D6
SCHEMBL4466281 0.77 FFAR1 (0.53) FFAR1CYP2C19CYP2D6KMT2A
SCHEMBL27907309 0.77 GABBR2 (0.44) GABBR2GABBR1FFAR1CYP2C19
SCHEMBL4298983 0.76 FFAR1 (0.49) GABBR2GABBR1FFAR1

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
WO-2007008156-A1 A PHARMACEUTICAL COMPOSITION COMPRISING A SUBSTITUTED PHENYLPROPIONIC ACID AS A FREE ACID AND AS TERT-BUTYL AMINE SALT THEREOF ASTRAZENECA AB (SE) 2007-01-18 — — WO disclosed