SCHEMBL2720129

SCHEMBL2720129

CC(C)c1cc(C2CC2)c(C(C)C)s1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.31
GFER P55789 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
SCHEMBL13351651 0.73 MAPK1 (0.30) MAPK1GFER
SCHEMBL21952789 0.69 PTGS1 (0.36)
SCHEMBL24380286 0.68 ALOX5 (0.35)
SCHEMBL22789124 0.68 MAPK1 (0.31) MAPK1GFER
SCHEMBL22789384 0.68 MAPK1 (0.31) MAPK1GFER
SCHEMBL13363415 0.68 CHRNB2 (0.30)
SCHEMBL12250834 0.67 CA1 (0.32)
SCHEMBL12070250 0.67 TRPA1 (0.32)
SCHEMBL22789314 0.67 MAPK1 (0.33) MAPK1GFER
SCHEMBL25128607 0.66 PTGS1 (0.34)

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-2402955-A1 Chemical defunctionalization of polymeric alkylenedioxyheterocyclics - the monomers University of Florida Research Foundation, Incorporated (US) 2012-01-04 EP disclosed