SCHEMBL8550746

SCHEMBL8550746

CCCCOC(=O)C(N)c1cccc(OCCC2Oc3ccccc3N(Cc3ccccc3Cl)C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.48
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL8555378 0.92 PPARG (0.49) PPARGTSHRHTT
SCHEMBL8555170 0.83 PPARG (0.43) PPARGTSHR
SCHEMBL8555355 0.82 PPARG (0.46) PPARGTSHR
SCHEMBL8665582 0.82 PPARG (0.45) PPARGTSHRHTT
SCHEMBL8555379 0.79 PPARG (0.48) PPARGTSHRHTT
SCHEMBL8644730 0.78 PPARG (0.47) PPARGTSHRHTT
SCHEMBL8551428 0.78 TSHR (0.50) PPARGTSHRHTT
SCHEMBL8556015 0.77 HTT (0.53) PPARGTSHRHTT
SCHEMBL8596034 0.77 TSHR (0.48) PPARGTSHRHTT
SCHEMBL8602443 0.74 HTT (0.51) PPARGTSHRHTT

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