SCHEMBL6606769

SCHEMBL6606769

O=Cc1ccc(C=CCN2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
ALDH1A1 P00352 5/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH3A1 P30838 1/20 0.46
ALDH1A3 P47895 1/20 0.46
HIF1A Q16665 3/20 0.42
EPAS1 Q99814 1/20 0.42
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
GMNN O75496 1/20 0.41
ABCB11 O95342 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 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
SCHEMBL15759224 0.83 ALDH1A1 (0.51) LTA4HALDH1A1TSHRKDM4EHIF1A
SCHEMBL17888676 0.83 ALDH1A1 (0.48) LTA4HALDH1A1TSHRKDM4EHIF1A
SCHEMBL17888675 0.83 ALDH1A1 (0.48) LTA4HALDH1A1TSHRKDM4EHIF1A
SCHEMBL6666143 0.83 ALDH1A1 (0.58) LTA4HALDH1A1TSHRKDM4EHIF1A
SCHEMBL6607676 0.83 LTA4H (0.66) LTA4HALDH1A1KDM4EHIF1ALMNA
SCHEMBL4437598 0.83 ALDH1A1 (0.58) LTA4HALDH1A1TSHRKDM4EHIF1A
SCHEMBL8718240 0.83 LTA4H (0.66) LTA4HALDH1A1KDM4EHIF1ALMNA
SCHEMBL10264392 0.81 LTA4H (0.51) LTA4HALDH1A1TSHRKDM4EHIF1A
SCHEMBL17888593 0.80 SMN1; SMN2 (0.57) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL17888592 0.80 SMN1; SMN2 (0.57) ALDH1A1LMNAKMT2ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0999835-A4 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORP (US) 2004-08-25 EP disclosed
EP-0999835-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS Ontogen Corporation (US) 2000-05-17 EP disclosed
WO-1999002155-A1 IMIDAZOLE DERIVATIVES AS MDR MODULATORS ONTOGEN CORPORATION (US) 1999-01-21 WO disclosed
US-5840721-A INCREASE SENSITIVITY OF MULTIDRUG RESISTANT TUMOR CELLS TO ANTICANCER AGENTS ONTOGEN CORPORATION (US) 1998-11-24 US disclosed