SCHEMBL8552185

SCHEMBL8552185

CCOC(=O)c1ccccc1CN1C(=O)C(CCOc2ccc(CCN)cc2)Oc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8557139 0.86 TP53 (0.42) PPARGHTTALDH1A1SMN1; SMN2
SCHEMBL8602443 0.83 HTT (0.51) PPARGHTTALDH1A1
SCHEMBL7475955 0.81 HTT (0.55) PPARGHTTALDH1A1SMN1; SMN2
SCHEMBL8554310 0.80 TSHR (0.48) PPARGALDH1A1SMN1; SMN2
SCHEMBL8551698 0.80 ALDH1A1 (0.45) PPARGALDH1A1SMN1; SMN2
SCHEMBL8553942 0.77 TSHR (0.46) PPARGALDH1A1SMN1; SMN2
SCHEMBL8556015 0.75 HTT (0.53) PPARGHTT
SCHEMBL8596034 0.75 TSHR (0.48) PPARGHTTALDH1A1
SCHEMBL8653249 0.75 HTT (0.50) HTTALDH1A1SMN1; SMN2
SCHEMBL8644730 0.74 PPARG (0.47) PPARGHTTALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed