SCHEMBL8555413

SCHEMBL8555413

O=C(O)c1ccccc1CN1C(=O)C(CCO)Oc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
SIRT1 Q96EB6 1/20 0.49
PPARG P37231 14/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7475955 0.85 HTT (0.55) HTTPPARGTSHRALDH1A1SMN1; SMN2
SCHEMBL7474325 0.83 TSHR (0.65) HTTSIRT1PPARGTSHRALDH1A1
SCHEMBL7476860 0.82 TSHR (0.64) HTTPPARGTSHRALDH1A1SMN1; SMN2
SCHEMBL7473032 0.81 HTT (0.52) HTTPPARGTSHRALDH1A1SMN1; SMN2
SCHEMBL7468634 0.80 HTT (0.54) HTTPPARGTSHRALDH1A1SMN1; SMN2
SCHEMBL7472920 0.78 TSHR (0.56) HTTPPARGTSHRALDH1A1SMN1; SMN2
SCHEMBL7473291 0.77 TSHR (0.54) HTTPPARGTSHRALDH1A1SMN1; SMN2
SCHEMBL7471315 0.76 ALDH1A1 (0.68) HTTTSHRALDH1A1SMN1; SMN2
SCHEMBL7472305 0.76 TSHR (0.53) HTTPPARGTSHRALDH1A1SMN1; SMN2
SCHEMBL7477378 0.75 SIRT1 (0.48) HTTSIRT1PPARGTSHRALDH1A1

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