SCHEMBL7274402

SCHEMBL7274402

O=C(O)CCC(Nc1ccc2cc3ccccc3cc2c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GGH Q92820 1/20 0.52
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.48
NAALAD2 Q9Y3Q0 3/20 0.46
EPHX1 P07099 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
ADAMTS4 O75173 1/20 0.44
FFAR1 O14842 1/20 0.43
FOLH1 Q04609 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KEAP1 Q14145 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
SCHEMBL7274405 1.00 GGH (0.52) GGHCYP1A2GAANAALAD2EPHX1
SCHEMBL20189708 0.84 KMT2A (0.51) GGHCYP1A2GAAEPHX1MMP9
SCHEMBL20189709 0.84 KMT2A (0.51) GGHCYP1A2GAAEPHX1MMP9
SCHEMBL27657427 0.82 RAB9A (0.47) CYP1A2GAAEPHX1MAPTNPC1
SCHEMBL60370 0.81 GAA (0.62) GGHGAANAALAD2MMP9MMP8
SCHEMBL60371 0.81 GAA (0.62) GGHGAANAALAD2MMP9MMP8
SCHEMBL2820711 0.81 PPARG (0.54) CYP1A2GAAEPHX1MAPTNPC1
SCHEMBL27469903 0.81 PPARG (0.54) CYP1A2GAAEPHX1MAPTNPC1
SCHEMBL5342232 0.78 RAB9A (0.50) CYP1A2GAAEPHX1MAPTNPC1
SCHEMBL5342235 0.78 RAB9A (0.50) CYP1A2GAAEPHX1MAPTNPC1

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
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 EP disclosed