SCHEMBL21985356

SCHEMBL21985356

CC#Cc1ccc(C2C(=O)CCC(CC)C2=O)c(OC(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
REN P00797 2/20 0.32
CTSD P07339 2/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 2/20 0.32
CYP3A4 P08684 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21985343 0.88 PPARD (0.33)
SCHEMBL20060233 0.87
SCHEMBL21985266 0.86 ALDH1A1 (0.32) MEN1KMT2A
SCHEMBL21985650 0.84
SCHEMBL21985639 0.84 CNR2 (0.33) HCRTR1HCRTR2
SCHEMBL21985648 0.79 HTR2A (0.33)
SCHEMBL17382668 0.78 HCRTR1 (0.36) HCRTR1HCRTR2RENCTSDBACE1
SCHEMBL20060263 0.77 CA1 (0.31)
SCHEMBL21985039 0.77 PPARD (0.30)
SCHEMBL20060289 0.75 HTR2A (0.38)

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-3160950-B1 HERBICIDAL PROPYNYL-PHENYL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed