SCHEMBL8553538

SCHEMBL8553538

O=C(O)Cc1ccc(OCCC2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
PPARG P37231 19/20 0.47

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 0.91 TSHR (0.48) TSHRPPARG
SCHEMBL8557746 0.89 TSHR (0.45) TSHRPPARG
SCHEMBL8553542 0.88 TSHR (0.49) TSHRPPARG
SCHEMBL8557074 0.87 TSHR (0.47) TSHRPPARG
SCHEMBL8605562 0.86 TSHR (0.50) TSHRPPARG
SCHEMBL8554282 0.86 TSHR (0.48) TSHRPPARG
SCHEMBL8602742 0.85 TSHR (0.55) TSHRPPARG
SCHEMBL8554854 0.85 TSHR (0.46) TSHRPPARG
SCHEMBL7468643 0.85 TSHR (0.42) TSHRPPARG
SCHEMBL8550235 0.85 TSHR (0.49) TSHRPPARG

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