SCHEMBL8554282

SCHEMBL8554282

O=C(O)CCc1cccc(OCCC2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
PPARG P37231 18/20 0.43
XIAP P98170 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
SCHEMBL8554111 0.93 TSHR (0.48) TSHRPPARGXIAP
SCHEMBL8551630 0.89 TSHR (0.43) TSHRPPARGXIAP
SCHEMBL8603116 0.87 PPARG (0.54) PPARG
SCHEMBL8553538 0.86 TSHR (0.49) TSHRPPARG
SCHEMBL8602742 0.84 TSHR (0.55) TSHRPPARGXIAP
SCHEMBL8601048 0.84 TSHR (0.49) TSHRPPARGXIAP
SCHEMBL8554130 0.83 TSHR (0.43) TSHRPPARG
SCHEMBL8553542 0.82 TSHR (0.49) TSHRPPARGXIAP
SCHEMBL8595934 0.82 TSHR (0.44) TSHRPPARG
SCHEMBL8557074 0.82 TSHR (0.47) TSHRPPARGXIAP

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