SCHEMBL9513347

SCHEMBL9513347

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C=Cc3ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.32
AHR P35869 1/20 0.32
HPGD P15428 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL9514524 0.99 MAOB (0.31) MAOBAHR
SCHEMBL9514453 0.99 MAOB (0.31) MAOBAHR
SCHEMBL9513281 0.99 MAOB (0.31) MAOBAHR
SCHEMBL9513707 0.97 MAOB (0.32) MAOBAHR
SCHEMBL9514440 0.94 MAOB (0.33) MAOBAHRHPGDPTGES
SCHEMBL9513126 0.93 MAOB (0.32) MAOBAHRHPGDPTGES
SCHEMBL9513681 0.93 MAOB (0.32) MAOBAHRHPGDPTGES
SCHEMBL9513215 0.93 MAOB (0.32) MAOBAHRHPGDPTGES
SCHEMBL9514468 0.93 MAOB (0.33) MAOB
SCHEMBL9511565 0.91 MAOB (0.33) MAOBAHR

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
EP-0387315-B1 FLUORINATED ALKOXYL COMPOUNDS MERCK PATENT GMBH (DE) 1993-12-08 EP disclosed