SCHEMBL3752417

SCHEMBL3752417

O=C1c2ccccc2Cc2ccc(OCCCCCC(F)(F)F)cc21

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.52
MAOA P21397 2/20 0.44
PDK2 Q15119 6/20 0.42
HRH3 Q9Y5N1 2/20 0.41
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40

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
SCHEMBL25524540 0.84 PTPN1 (0.50) MAOAPDK2BCHEACHE
SCHEMBL23960775 0.84 PTPN1 (0.50) MAOAPDK2BCHEACHE
SCHEMBL25524541 0.84 PTPN1 (0.50) MAOAPDK2BCHEACHE
SCHEMBL30426252 0.77 MAPT (0.56)
SCHEMBL17796880 0.77 MAPT (0.56)
SCHEMBL28585350 0.76 MAOA (0.55) MAOAPDK2BCHE
SCHEMBL7164713 0.75 MAOA (0.53) MAOBMAOAPDK2BCHEACHE
SCHEMBL3745581 0.74 MAPT (0.64) MAOBMAOA
SCHEMBL17899374 0.72 MAPT (0.50) MAOBMAOA
SCHEMBL10623445 0.71 ALDH1A1 (0.64) MAOBMAOAACHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829578-B1 Aromatic ketones and uses thereof OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-11-09 US disclosed