SCHEMBL9523993

SCHEMBL9523993

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.62
TAAR1 Q96RJ0 3/20 0.48
SLC6A2 P23975 1/20 0.48
HDAC8 Q9BY41 2/20 0.48
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
YARS1 P54577 1/20 0.45
DPP4 P27487 1/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43

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
SCHEMBL28267396 0.87 SLC7A5 (0.65) SLC7A5TAAR1SLC6A2HDAC8ESR1
SCHEMBL638519 0.87 SLC7A5 (0.65) SLC7A5TAAR1SLC6A2HDAC8ESR1
SCHEMBL4453960 0.85 SLC7A5 (0.67) SLC7A5TAAR1SLC6A2HDAC8ESR1
SCHEMBL27680265 0.85 SLC7A5 (0.67) SLC7A5TAAR1SLC6A2HDAC8ESR1
SCHEMBL7109452 0.84 SLC7A5 (0.63) SLC7A5HDAC8ALPIPKMPTGS1
SCHEMBL17738628 0.84 SLC7A5 (0.65) SLC7A5TAAR1SLC6A2HDAC8ESR1
SCHEMBL8012238 0.84 SLC7A5 (0.65) SLC7A5TAAR1SLC6A2HDAC8ESR1
SCHEMBL11456 0.84 SLC7A5 (0.65) SLC7A5TAAR1SLC6A2HDAC8ESR1
SCHEMBL18025358 0.84 SLC7A5 (0.65) SLC7A5TAAR1SLC6A2HDAC8ESR1
SCHEMBL1253728 0.84 SLC7A5 (0.65) SLC7A5TAAR1SLC6A2HDAC8ESR1

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
EP-0345248-B1 USE OF THE ENZYME-COFACTOR NADPH IN THE PREPARATION OF A PHARMACEUTICAL, PHARMACEUTICAL AND PREPARATION THEREOF Birkmayer, Jörg, Univ.-Prof. DDr. (AT) 1993-03-31 EP claimed