SCHEMBL8554111

SCHEMBL8554111

O=C(O)CCc1ccc(OCCC2Oc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
FFAR1 O14842 6/20 0.45
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PPARG P37231 11/20 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
SCHEMBL8554282 0.93 TSHR (0.48) TSHRPPARGXIAP
SCHEMBL8553538 0.91 TSHR (0.49) TSHRPPARG
SCHEMBL8602742 0.91 TSHR (0.55) TSHRALDH1A1SMN1; SMN2PPARGXIAP
SCHEMBL8605061 0.88 TSHR (0.53) TSHRALDH1A1SMN1; SMN2PPARGXIAP
SCHEMBL8557746 0.87 TSHR (0.45) TSHRALDH1A1SMN1; SMN2PPARGXIAP
SCHEMBL8603116 0.87 PPARG (0.54) PPARG
SCHEMBL7468643 0.87 TSHR (0.42) TSHRALDH1A1SMN1; SMN2PPARGXIAP
SCHEMBL8553542 0.86 TSHR (0.49) TSHRALDH1A1SMN1; SMN2PPARGXIAP
SCHEMBL8557074 0.85 TSHR (0.47) TSHRALDH1A1SMN1; SMN2PPARGXIAP
SCHEMBL8605562 0.84 TSHR (0.50) TSHRALDH1A1SMN1; SMN2PPARGXIAP

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