SCHEMBL8002622

SCHEMBL8002622

CCCCOC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)CO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.48
MGLL Q99685 2/20 0.46
CTSL P07711 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ACE P12821 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
TGM2 P21980 1/20 0.43
SSTR3 P32745 1/20 0.43
EPHX1 P07099 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
P2RX7 Q99572 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
Iodide SCHEMBL8013938 0.98 LMNA (0.47) LMNAMEN1MAPTALOX12KMT2A
SCHEMBL8021733 0.90 MEN1 (0.47) LMNAMEN1MAPTALOX12KMT2A
SCHEMBL5954165 0.89 MEN1 (0.50) LMNAMEN1MAPTALOX12KMT2A
SCHEMBL909810 0.89 CA2 (0.51) LMNAMEN1MAPTALOX12KMT2A
SCHEMBL909808 0.89 CA2 (0.51) LMNAMEN1MAPTALOX12KMT2A
SCHEMBL3821974 0.89 MEN1 (0.50) LMNAMEN1MAPTALOX12KMT2A
SCHEMBL4728709 0.85 MEN1 (0.47) LMNAMEN1MAPTALOX12KMT2A
SCHEMBL7162403 0.82 MGLL (0.51) LMNAMEN1MAPTALOX12KMT2A
SCHEMBL7162407 0.82 MGLL (0.51) LMNAMEN1MAPTALOX12KMT2A
SCHEMBL28209015 0.81 PPARG (0.52) LMNAMEN1MAPTALOX12KMT2A

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-2000041685-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-20 WO disclosed