SCHEMBL9703675

SCHEMBL9703675

NCC(N)(Cc1nccc(OCc2ccccc2)c1OCc1ccccc1)Cc1nccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42
AOC3 Q16853 1/20 0.36
MAOB P27338 3/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ABCB1 P08183 1/20 0.36
MPO P05164 1/20 0.35
HTR1A P08908 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
SCHEMBL9654512 0.77 LTA4H (0.45) LTA4HMAPK14MAPTL3MBTL1PLAU
SCHEMBL4898090 0.77 LTA4H (0.45) LTA4HMAPK14MAPTL3MBTL1PLAU
Hydrochloric Acid SCHEMBL9683438 0.76 LTA4H (0.44) LTA4HMAPK14AOC3MAPTL3MBTL1
SCHEMBL9681836 0.73 LMNA (0.47) LTA4HMAPK14L3MBTL1TDP1GAA
SCHEMBL9683450 0.72 LMNA (0.49) LTA4HMAPK14L3MBTL1TDP1HTR1A
SCHEMBL7720531 0.71 LTA4H (0.49) LTA4HMAPK14MAPTL3MBTL1PLAU
SCHEMBL4891121 0.70 ALDH1A1 (0.55) MAOBMAPTL3MBTL1MAPK1TDP1
SCHEMBL4898749 0.70 L3MBTL1 (0.53) LTA4HMAPK14MAPTL3MBTL1MAPK1
SCHEMBL29342 0.70 TAAR1 (0.56) MAOBMAOASMN1; SMN2KDM4EPOLB
SCHEMBL9701005 0.69 HTR1A (0.38) LTA4HMAPK14PLAUPLATHTR1A

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-1992013841-A1 COMPLEXING AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-20 WO disclosed