SCHEMBL23637758

SCHEMBL23637758

CC(O)C(C)(C)C(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.56
TAAR1 Q96RJ0 3/20 0.51
SLC6A2 P23975 1/20 0.51
ESR1 P03372 4/20 0.45
ESR2 Q92731 3/20 0.45
HDAC8 Q9BY41 2/20 0.43
BLM P54132 1/20 0.41
MMP2 P08253 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL23637759 0.89 TAAR1 (0.58) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL16501755 0.83 SLC7A5 (0.62) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL13301968 0.83 SLC7A5 (0.62) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL28287260 0.78 SLC7A5 (0.60) SLC7A5TAAR1SLC6A2ESR1ESR2
Tyrosine SCHEMBL29780694 0.77 SLC7A5 (0.86) SLC7A5TAAR1SLC6A2
Tyrosine SCHEMBL21002204 0.77 SLC7A5 (0.86) SLC7A5TAAR1SLC6A2
SCHEMBL29664840 0.77 ESR1 (0.63) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL12234239 0.76 SLC7A5 (0.57) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL2603687 0.76 SLC7A5 (0.71) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL8279093 0.76 SLC7A5 (0.71) SLC7A5TAAR1SLC6A2ESR1ESR2

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-2021141603-A1 POLYMER EXCIPIENTS FOR DRUG DELIVERY APPLICATIONS Tyndall Formulation Services, LLC (US) 2021-07-15 WO disclosed