SCHEMBL7426730

SCHEMBL7426730

CC(C)CC(C(=O)O)N(CCc1cccc(Cc2cc(Cl)cc(Cl)c2)c1)C(=O)O.CC(C)CC(C(=O)O)N(CCc1cccc(Cc2cccc(Cl)c2)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.43
TAAR1 Q96RJ0 4/20 0.42
SLC2A1 P11166 2/20 0.39
MAPK1 P28482 1/20 0.38
GLA P06280 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
PTGER4 P35408 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL7430634 0.98 AOC3 (0.39) AOC3TAAR1SLC2A1MAPK1
SCHEMBL7419980 0.97 AOC3 (0.46) AOC3TAAR1SLC2A1MAPK1ALDH1A1
SCHEMBL7419020 0.88 GRN (0.38) AOC3ALDH1A1TSHR
SCHEMBL7422595 0.84 RXRA (0.40) AOC3MAPK1
SCHEMBL7424530 0.82 LTB4R (0.44)
SCHEMBL7421892 0.82 NR4A2 (0.51)
SCHEMBL7424533 0.79 AOC3 (0.39) AOC3TAAR1SLC2A1MAPK1ALDH1A1
SCHEMBL7419478 0.78 MMP2 (0.42) ALDH1A1
SCHEMBL7378945 0.78 MEN1 (0.48) AOC3TAAR1KMT2AMEN1HPGD
SCHEMBL7427483 0.78 SLC1A5 (0.54) PTGER4PTGER2

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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed