SCHEMBL528457

SCHEMBL528457

N[C@@H](Cc1ccc(O)cc1)C(=O)On1cnc2c(=O)nc[nH]c21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
HDAC8 Q9BY41 2/20 0.35
CIT O14578 1/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL9732187 0.74 ALDH1A1 (0.43) SLC7A5
SCHEMBL10894212 0.71 SLC7A5 (0.38) SLC7A5HDAC8DPP4
SCHEMBL9602009 0.68 SLC7A5 (0.53) SLC7A5HDAC8DPP4
SCHEMBL28302757 0.67 SLC7A5 (0.59) SLC7A5HDAC8DPP4
SCHEMBL3817131 0.67 SLC7A5 (0.59) SLC7A5HDAC8DPP4
SCHEMBL2243752 0.67 SLC7A5 (0.51) SLC7A5HDAC8DPP4
SCHEMBL2243756 0.67 SLC7A5 (0.51) SLC7A5HDAC8DPP4
SCHEMBL27456530 0.66 SLC7A5 (0.62) SLC7A5HDAC8DPP4
SCHEMBL28177422 0.66 SLC7A5 (0.54) SLC7A5HDAC8DPP4
SCHEMBL27680265 0.66 SLC7A5 (0.67) SLC7A5HDAC8DPP4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598873-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2013-06-05 EP disclosed
WO-2012015904-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2012-02-02 WO disclosed
US-4212944-A AEROBICALLY PROPAGATING NOCARDIOPSIS ATRA PFIZER INC. (US) 1980-07-15 US disclosed