SCHEMBL27624481

SCHEMBL27624481

COC(=O)C(N)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.52
PTGES O14684 1/20 0.51
FFAR1 O14842 2/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
EPOR P19235 2/20 0.49
LTA4H P09960 1/20 0.49
TAAR1 Q96RJ0 2/20 0.48

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
SCHEMBL5111059 0.90 PPARG (0.50) SLC7A5PPARGPPARALTA4HTAAR1
Hydrochloric Acid SCHEMBL5111057 0.89 PPARG (0.49) SLC7A5PPARGPPARALTA4HTAAR1
SCHEMBL1279049 0.87 TAAR1 (0.64) SLC7A5TAAR1
SCHEMBL22458056 0.87 TAAR1 (0.64) SLC7A5TAAR1
SCHEMBL29183302 0.87 ACACB (0.53) SLC7A5FFAR1PPARGPPARALTA4H
SCHEMBL2292317 0.87 ACACB (0.53) SLC7A5FFAR1PPARGPPARALTA4H
SCHEMBL2658540 0.87 TAAR1 (0.64) SLC7A5TAAR1
SCHEMBL8255298 0.87 ACACB (0.53) SLC7A5FFAR1PPARGPPARALTA4H
SCHEMBL10094299 0.86 PTGES (0.49) SLC7A5PTGESFFAR1PPARGPPARA
Hydrochloric Acid SCHEMBL2292318 0.86 PPARG (0.54) SLC7A5FFAR1PPARGPPARALTA4H

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-1774635-A Anti-epileptogenic agents UNIV KINGSTON (CA) 2006-05-17 CN disclosed