SCHEMBL5793057

SCHEMBL5793057

C=COC(=O)C(N)Cc1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.57
TAAR1 Q96RJ0 3/20 0.44
HDAC8 Q9BY41 2/20 0.44
SLC6A2 P23975 1/20 0.44
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
DPP4 P27487 1/20 0.41
MIF P14174 1/20 0.40
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
SCHEMBL5793058 1.00 SLC7A5 (0.57) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL17229173 0.87 SLC7A5 (0.41) SLC7A5DPP4
SCHEMBL6521570 0.85 SLC7A5 (0.59) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL28148514 0.85 SLC7A5 (0.59) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL6586336 0.85 ALPI (0.58) SLC7A5HDAC8
SCHEMBL6593251 0.85 ALPI (0.58) SLC7A5HDAC8
SCHEMBL607242 0.83 SLC7A5 (0.56) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL598432 0.83 SLC7A5 (0.56) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL29159209 0.81 SLC7A5 (0.54) SLC7A5TAAR1HDAC8SLC6A2ESR1
SCHEMBL27680265 0.81 SLC7A5 (0.67) SLC7A5TAAR1HDAC8SLC6A2ESR1

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
WO-2006012277-A2 BIOCATALYTIC PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED PRAMIPEXOLE AMR TECHNOLOGY, INC. (US) 2006-02-02 WO disclosed
WO-2003057896-A1 METHODS FOR PREPARING ANTHRACYCLINONE DERIVATIVES AND ANTHRACYCLINONE DERIVATIVES PER SE ALBANY MOLECULAR RESEARCH, INC. (US) 2003-07-17 WO disclosed