SCHEMBL9683448

SCHEMBL9683448

O=C(O)CNCCN(CC(=O)O)Cc1nccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
KEAP1 Q14145 1/20 0.35
SGMS2 Q8NHU3 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PTPN1 P18031 1/20 0.34
PPIA P62937 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
MAOB P27338 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL9701005 0.80 HTR1A (0.38) LTA4HHTR1AADRA1DADRA1AADRA1B
SCHEMBL9683651 0.80 MEN1 (0.38) LTA4HKEAP1SGMS2PPIAMEN1
SCHEMBL9682296 0.71 BCHE (0.38) LTA4HMEN1KMT2ACYP2D6MAOB
SCHEMBL9681836 0.71 LMNA (0.47) LTA4HMEN1ALDH1A1KMT2AHTR1A
SCHEMBL9683450 0.70 LMNA (0.49) LTA4HMEN1ALDH1A1KMT2AHTR1A
SCHEMBL4898090 0.69 LTA4H (0.45) LTA4HSGMS2PPIAKMT2AHTR1A
SCHEMBL8809853 0.68 PPIA (0.51) LTA4HSGMS2PPIAALDH1A1BRD4
SCHEMBL4891121 0.68 ALDH1A1 (0.55) SGMS2PTPN1PPIAALDH1A1MAOB
SCHEMBL9654512 0.67 LTA4H (0.45) LTA4HSGMS2THRATHRBHTR1A
SCHEMBL9098956 0.67 AKR1B1 (0.44) MEN1KMT2ACYP2D6KDM4ETDP1

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 2 patents. 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
EP-0498380-A1 Complexing agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-12 EP disclosed