SCHEMBL6691765

SCHEMBL6691765

C=CC(F)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.51
ACE P12821 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAALAD2 Q9Y3Q0 2/20 0.46
ALDH1A1 P00352 1/20 0.45
MMP2 P08253 4/20 0.44
MMP9 P14780 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADAMTS4 O75173 1/20 0.44
FOLH1 Q04609 1/20 0.44

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
SCHEMBL3506387 0.82 MME (0.58) MMEACENPSR1NAALAD2ALDH1A1
SCHEMBL3506385 0.82 MME (0.58) MMEACENPSR1NAALAD2ALDH1A1
SCHEMBL7379335 0.81 MME (0.70) MMEACENPSR1NAALAD2MMP2
SCHEMBL9068541 0.81 MME (0.70) MMEACENPSR1NAALAD2MMP2
SCHEMBL6770152 0.79 MME (0.55) MMEACENPSR1NAALAD2ALDH1A1
SCHEMBL3090103 0.78 MME (0.48) MMEACENPSR1L3MBTL1
SCHEMBL3090098 0.78 MME (0.48) MMEACENPSR1L3MBTL1
SCHEMBL8385283 0.77 MME (0.53) MMEACENPSR1NAALAD2MMP2
SCHEMBL17633984 0.77 MME (0.53) MMEACENPSR1NAALAD2MMP2
SCHEMBL8697148 0.76 MME (0.52) MMENPSR1NAALAD2L3MBTL1CYP1A2

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-2004071505-A2 RADIOLABELLED D-AMINO ACIDS FOR USE IN DIAGNOSIS WITH SPECT AND PET AND SYSTEMIC RADIONUCLIDE THERAPY MALLINCKRODT INC. (US) 2004-08-26 WO disclosed