SCHEMBL14408271

SCHEMBL14408271

COc1ccc(C(N)CC(=O)O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.54
GAA P10253 1/20 0.47
ACHE P22303 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TNF P01375 1/20 0.43
TAS1R3 Q7RTX0 4/20 0.42
TAS1R1 Q7RTX1 4/20 0.42
POLB P06746 2/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CTSA P10619 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 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
SCHEMBL30540379 0.88 ACHE (0.59) GAAACHEKMT2ASMN1; SMN2TNF
SCHEMBL5720955 0.88 ACHE (0.59) GAAACHEKMT2ASMN1; SMN2TNF
SCHEMBL4671897 0.88 ACHE (0.59) GAAACHEKMT2ASMN1; SMN2TNF
SCHEMBL2991798 0.88 ACHE (0.59) GAAACHEKMT2ASMN1; SMN2TNF
Hydrochloric Acid SCHEMBL5743213 0.86 ACHE (0.57) GAAACHEKMT2ASMN1; SMN2TNF
Hydrochloric Acid SCHEMBL5742665 0.86 ACHE (0.57) GAAACHEKMT2ASMN1; SMN2TNF
Hydrochloric Acid SCHEMBL5905254 0.86 ACHE (0.57) GAAACHEKMT2ASMN1; SMN2TNF
SCHEMBL10381531 0.85 GAA (0.53) FFAR1GAAACHEKMT2ASMN1; SMN2
SCHEMBL11225638 0.84 FFAR1 (0.56) FFAR1GAAACHESLC6A2SLC6A4
SCHEMBL23462724 0.84 ALDH1A1 (0.44) FFAR1ACHESLC6A2SLC6A4SLC6A3

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-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed