SCHEMBL5069963

SCHEMBL5069963

NC(CCSSCC[C@@H](N)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.52
LTA4H P09960 6/20 0.49
POLB P06746 1/20 0.47
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC2 Q92769 1/20 0.43
FNTA P49354 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
SCHEMBL5072747 1.00 METAP2 (0.52) METAP2LTA4HPOLBMMEACE
SCHEMBL11643689 0.86 METAP2 (0.49) METAP2LTA4HPOLBMMEACE
SCHEMBL5072176 0.84 MME (0.53) METAP2LTA4HPOLBMMEACE
SCHEMBL5070127 0.84 MME (0.53) METAP2LTA4HPOLBMMEACE
SCHEMBL12933677 0.83 METAP2 (0.47) METAP2LTA4HPOLBMMEACE
Hydrochloric Acid SCHEMBL2789209 0.82 METAP2 (0.46) METAP2LTA4HPOLBMMEACE
Hydrochloric Acid SCHEMBL2789212 0.82 METAP2 (0.46) METAP2LTA4HPOLBMMEACE
SCHEMBL20243040 0.81 LTA4H (0.68) LTA4HPOLBHDAC8GAAHDAC2
SCHEMBL2522626 0.81 LTA4H (0.68) LTA4HPOLBHDAC8GAAHDAC2
SCHEMBL8995836 0.81 METAP2 (0.54) METAP2LTA4HPOLBTAAR1MEN1

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
US-20080226503-A1 Method for selective detection of peptides using molecularly imprinted sensors TAI DAR-FU 2008-09-18 US claimed