SCHEMBL6233210

SCHEMBL6233210

CC(C(N)=O)[C@H]1CN(c2ccc(I)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.45
CALML3 P27482 7/20 0.41
MAOB P27338 3/20 0.39
LMNA P02545 1/20 0.39
PTGS1 P23219 1/20 0.39
SDHA P31040 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL6233214 1.00 MAOA (0.45) MAOACALML3MAOBLMNAPTGS1
SCHEMBL27573655 1.00 MAOA (0.45) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5198029 0.87 MAOA (0.45) MAOACALML3MAOBLMNAPTGS1
SCHEMBL28079570 0.84 MAOA (0.43) MAOACALML3MAOBLMNAPTGS1
SCHEMBL28079572 0.84 MAOA (0.43) MAOACALML3MAOBLMNAPTGS1
Trimethylammonium SCHEMBL27573776 0.83 MAOA (0.43) MAOACALML3MAOBLMNAPTGS1
SCHEMBL8501013 0.82 FADS1 (0.53) MAOACALML3MAOBLMNA
SCHEMBL28110349 0.82 MAOB (0.52) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6040405 0.82 MAOA (0.64) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3035424 0.82 MAOA (0.64) MAOACALML3MAOBLMNAPTGS1

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-1599471-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS Astrazeneca AB (SE) 2005-11-30 EP disclosed
WO-2004078753-A1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2004-09-16 WO disclosed