SCHEMBL9554333

SCHEMBL9554333

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.44
MAPT P10636 1/20 0.43
FFAR1 O14842 15/20 0.43
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL4298983 0.82 FFAR1 (0.49) FFAR1GABBR2GABBR1
SCHEMBL7507485 0.81 HPGD (0.49) FFAR1GABBR2GABBR1
SCHEMBL27907309 0.80 GABBR2 (0.44) FFAR1GABBR2GABBR1
SCHEMBL27663465 0.79 FFAR1 (0.50) FFAR1
SCHEMBL1670315 0.78 FFAR1 (0.62) FFAR1
SCHEMBL27142032 0.78 SCN1A (0.58) FFAR1GABBR2GABBR1
SCHEMBL1165785 0.78 NPC1 (0.48) FFAR1
Hydrochloric Acid SCHEMBL28602407 0.77 SCN1A (0.57) FFAR1GABBR2GABBR1
SCHEMBL4041861 0.77 NPC1 (0.49) FFAR1
SCHEMBL31037765 0.77 MAPT (0.47) MAPTFFAR1GABBR2GABBR1PPARG

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-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed