SCHEMBL21089342

SCHEMBL21089342

CCCCC(C)(CCC)c1cc(C(F)(F)F)n[nH]1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 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
SCHEMBL29301788 0.93 PTGS2 (0.33) PTGS2
SCHEMBL19819835 0.93 PTGS2 (0.33) PTGS2
SCHEMBL1120183 0.73 HPGD (0.34)
SCHEMBL18948717 0.71 GPR84 (0.31)
SCHEMBL18948839 0.70
SCHEMBL2870668 0.69 HCAR2 (0.50) PTGS2
SCHEMBL1529233 0.68 ALOX15 (0.42)
Lithium SCHEMBL31258223 0.68 ALOX15 (0.42)
SCHEMBL20927053 0.68
SCHEMBL13464275 0.68 HPGD (0.33)

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-3495360-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2019-06-12 EP disclosed