SCHEMBL23637759

SCHEMBL23637759

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.58
SLC6A2 P23975 1/20 0.58
SLC7A5 Q01650 1/20 0.57
ESR1 P03372 4/20 0.46
ESR2 Q92731 3/20 0.46
HDAC8 Q9BY41 2/20 0.44
BLM P54132 1/20 0.42
DPP4 P27487 1/20 0.41
ERAP2 Q6P179 1/20 0.40
LNPEP Q9UIQ6 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
SCHEMBL23637758 0.89 SLC7A5 (0.56) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL13301968 0.85 SLC7A5 (0.62) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL16501755 0.85 SLC7A5 (0.62) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL14898995 0.80 TAAR1 (0.66) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL21345026 0.80 TAAR1 (0.66) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL12680075 0.80 TAAR1 (0.66) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL28287260 0.79 SLC7A5 (0.60) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL29664840 0.78 ESR1 (0.63) TAAR1SLC6A2SLC7A5ESR1ESR2
Tyrosine SCHEMBL21002204 0.78 SLC7A5 (0.86) TAAR1SLC6A2SLC7A5
SCHEMBL18309081 0.78 SLC7A5 (0.67) TAAR1SLC6A2SLC7A5ESR1ESR2

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