SCHEMBL7473593

SCHEMBL7473593

COC(=O)c1ccc(CN2C(=O)C(CCO)Oc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SIRT1 Q96EB6 1/20 0.53
RAB9A P51151 1/20 0.45
TP53 P04637 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
PTPN1 P18031 1/20 0.43
GSK3B P49841 1/20 0.43
ADK P55263 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL7469321 0.89 TSHR (0.58) TSHRALDH1A1SMN1; SMN2MAPK1GSK3B
SCHEMBL7467559 0.85 TSHR (0.58) TSHRALDH1A1SMN1; SMN2SIRT1TP53
SCHEMBL7471315 0.84 ALDH1A1 (0.68) TSHRALDH1A1SMN1; SMN2TP53HTT
SCHEMBL7476860 0.84 TSHR (0.64) TSHRALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL7473291 0.83 TSHR (0.54) TSHRALDH1A1SMN1; SMN2TP53HTT
SCHEMBL7472920 0.82 TSHR (0.56) TSHRALDH1A1SMN1; SMN2TP53HTT
SCHEMBL7472497 0.81 TSHR (0.47) TSHRALDH1A1SMN1; SMN2TP53HTT
SCHEMBL8348428 0.80 TSHR (0.52) TSHRALDH1A1SMN1; SMN2SIRT1TP53
SCHEMBL7472305 0.79 TSHR (0.53) TSHRALDH1A1SMN1; SMN2TP53HTT
SCHEMBL7476998 0.78 TSHR (0.52) TSHRALDH1A1SMN1; SMN2HTTMAPK1

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 3 patents. 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 disclosed
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