SCHEMBL8936829

SCHEMBL8936829

CC(C)C[C@@H](N)C(=O)c1ccc(C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SLC7A5 Q01650 1/20 0.41
TYR P14679 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
LARS1 Q9P2J5 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A3 P47895 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
ELANE P08246 1/20 0.36
EPHX2 P34913 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
SCHEMBL9539475 0.81 ALDH1A1 (0.50) ALDH1A1TYRPARP10PARP3ADRB2
SCHEMBL20560043 0.81 ALDH1A1 (0.50) ALDH1A1TYRPARP10PARP3ADRB2
SCHEMBL11036148 0.81 LMNA (0.46) ALDH1A1SLC7A5LARS1SLC6A2SLC6A4
SCHEMBL11036149 0.81 LMNA (0.46) ALDH1A1SLC7A5LARS1SLC6A2SLC6A4
SCHEMBL4461196 0.80 ALDH1A1 (0.52) ALDH1A1TYRPARP10PARP3ALDH1A3
SCHEMBL29491550 0.79 SLC7A5 (0.52) ALDH1A1SLC7A5LARS1ANPEPRNPEP
SCHEMBL20559900 0.77 ALDH1A1 (0.48) ALDH1A1TYRPARP10PARP3ALDH1A3
Leucine SCHEMBL10670394 0.77 SLC7A5 (0.60) ALDH1A1SLC7A5LARS1ANPEPRNPEP
SCHEMBL7402179 0.76 ALDH1A1 (0.56) ALDH1A1TYRPARP10PARP3ALDH1A3
SCHEMBL27707450 0.76 SLC7A5 (0.44) SLC7A5LARS1SLC6A2SLC6A4SLC6A3

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
EP-0661932-A4 SPECIFIC EATABLE TASTE MODIFIERS. BIORESEARCH INC (US) 1996-06-05 EP disclosed
EP-0661932-A1 SPECIFIC EATABLE TASTE MODIFIERS BIORESEARCH, INC. (US) 1995-07-12 EP disclosed