SCHEMBL8553542

SCHEMBL8553542

CC(=O)Oc1ccc(OCCC2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
XIAP P98170 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 15/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL8605562 0.91 TSHR (0.50) TSHRXIAPALDH1A1SMN1; SMN2PPARG
SCHEMBL8553538 0.88 TSHR (0.49) TSHRPPARG
SCHEMBL8557746 0.87 TSHR (0.45) TSHRXIAPALDH1A1SMN1; SMN2PPARG
SCHEMBL8554111 0.86 TSHR (0.48) TSHRXIAPALDH1A1SMN1; SMN2PPARG
SCHEMBL8602742 0.85 TSHR (0.55) TSHRXIAPALDH1A1SMN1; SMN2PPARG
SCHEMBL8554854 0.85 TSHR (0.46) TSHRXIAPALDH1A1SMN1; SMN2PPARG
SCHEMBL8557074 0.85 TSHR (0.47) TSHRXIAPALDH1A1SMN1; SMN2PPARG
SCHEMBL8601048 0.85 TSHR (0.49) TSHRXIAPALDH1A1SMN1; SMN2PPARG
SCHEMBL8550235 0.85 TSHR (0.49) TSHRXIAPALDH1A1SMN1; SMN2PPARG
SCHEMBL8604044 0.84 TSHR (0.53) TSHRXIAPALDH1A1SMN1; SMN2PPARG

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