SCHEMBL5014699

SCHEMBL5014699

CC(=O)C1(C(C)(C)O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FASN P49327 1/20 0.31

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
SCHEMBL5479512 0.77 MAPT (0.35) MAPTSMN1; SMN2
SCHEMBL8501780 0.77 FFAR1 (0.36) MAPTSMN1; SMN2
SCHEMBL27722980 0.77 RAB9A (0.32) MAPTSMN1; SMN2
SCHEMBL6709307 0.77 RAB9A (0.32) MAPTSMN1; SMN2
SCHEMBL28745837 0.76 MEN1 (0.33)
SCHEMBL8486887 0.75 MAPT (0.33) MAPTSMN1; SMN2
SCHEMBL6808145 0.75 MAPT (0.33) MAPTSMN1; SMN2
SCHEMBL27604192 0.75 MAPT (0.33) MAPTSMN1; SMN2
SCHEMBL31121574 0.74 NPC1 (0.30) SMN1; SMN2
SCHEMBL28757379 0.74 NPC1 (0.30) SMN1; SMN2

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-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO disclosed