SCHEMBL6300612

SCHEMBL6300612

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.53
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
FOLH1 Q04609 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
SLC6A2 P23975 1/20 0.41
POLB P06746 1/20 0.39
CA2 P00918 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
HDAC8 Q9BY41 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL6300611 1.00 SLC7A5 (0.53) SLC7A5ESR1ESR2FOLH1TAAR1
SCHEMBL7163410 0.85 SLC7A5 (0.58) SLC7A5ESR1ESR2FOLH1TAAR1
SCHEMBL7163413 0.85 SLC7A5 (0.58) SLC7A5ESR1ESR2FOLH1TAAR1
SCHEMBL276571 0.83 SLC7A5 (0.55) SLC7A5ESR1ESR2FOLH1TAAR1
SCHEMBL276572 0.83 SLC7A5 (0.55) SLC7A5ESR1ESR2FOLH1TAAR1
SCHEMBL7373699 0.82 SLC7A5 (0.54) SLC7A5ESR1ESR2FOLH1TAAR1
SCHEMBL2522740 0.82 SLC7A5 (0.54) SLC7A5ESR1ESR2FOLH1TAAR1
SCHEMBL31127604 0.82 SLC7A5 (0.54) SLC7A5ESR1ESR2FOLH1TAAR1
SCHEMBL29278381 0.81 SLC7A5 (0.53) SLC7A5ESR1ESR2FOLH1TAAR1
SCHEMBL6300076 0.81 SLC7A5 (0.53) SLC7A5ESR1ESR2FOLH1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939716-B2 Method for detecting conditions indicative of sepsis WASHINGTON UNIVERSITY (US) 2005-09-06 US disclosed
EP-1427845-A2 METHOD FOR DETECTING SEPSIS Washington University (US) 2004-06-16 EP disclosed
US-20030100122-A1 Method for detecting conditions indicative of sepsis WASHINGTON UNIVERSITY 2003-05-29 US disclosed
WO-2003025212-A2 METHOD FOR DETECTING SEPSIS WASHINGTON UNIVERSITY (US) 2003-03-27 WO disclosed
WO-1990015993-A1 ASSAY FOR HUMAN VENTRICULAR MYOSIN LC1 AND MONOCLONAL ANTIBODY THERETO THE GENERAL HOSPITAL CORPORATION (US) 1990-12-27 WO disclosed