SCHEMBL7470870

SCHEMBL7470870

O=C1NC(=O)C(c2ccc(OCCC3Oc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)S1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
TSHR P16473 1/20 0.42
XIAP P98170 1/20 0.41
GSK3B P49841 2/20 0.38
ADK P55263 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8557746 0.83 TSHR (0.45) PPARGTSHRXIAPGSK3BADK
SCHEMBL8553542 0.82 TSHR (0.49) PPARGTSHRXIAPALDH1A1SMN1; SMN2
SCHEMBL8553538 0.82 TSHR (0.49) PPARGTSHR
SCHEMBL8554854 0.82 TSHR (0.46) PPARGTSHRXIAPGSK3BADK
SCHEMBL8605562 0.81 TSHR (0.50) PPARGTSHRXIAPALDH1A1SMN1; SMN2
SCHEMBL8554111 0.81 TSHR (0.48) PPARGTSHRXIAPALDH1A1SMN1; SMN2
SCHEMBL8557074 0.80 TSHR (0.47) PPARGTSHRXIAPALDH1A1SMN1; SMN2
SCHEMBL7468643 0.80 TSHR (0.42) PPARGTSHRXIAPGSK3BADK
SCHEMBL8554156 0.79 TSHR (0.38) PPARGTSHRXIAPGSK3BADK
SCHEMBL8602742 0.79 TSHR (0.55) PPARGTSHRXIAPGSK3BADK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP claimed