SCHEMBL5178656

SCHEMBL5178656

CC(C)C/C=C1/[CH]CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 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
SCHEMBL5177786 1.00 POLB (0.33) POLBMAPTRAB9ANFKB1NFKB2
SCHEMBL5177615 0.74 TRPA1 (0.37)
SCHEMBL5179036 0.74 NFKB1 (0.31) MAPTRAB9ANFKB1NFKB2RELA
SCHEMBL5178329 0.74 NFKB1 (0.31) MAPTRAB9ANFKB1NFKB2RELA
SCHEMBL6330248 0.66 MAPT (0.53) POLBMAPTRAB9ANFKB1NFKB2
SCHEMBL809499 0.64 MAPT (0.38) POLBMAPTRAB9A
SCHEMBL812831 0.64 MAPT (0.38) POLBMAPTRAB9A
SCHEMBL4288449 0.63 POLB (0.33) POLBMAPTRAB9ANFKB1NFKB2
SCHEMBL356851 0.62
SCHEMBL10447835 0.58 POLB (0.31) POLBMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791804-A1 2-ALKYLIDENE- AND 2-(ALKYL-1-ENE)-CYCLOPENTANONE AS PERFUMES Symrise GmbH & Co. KG (DE) 2007-06-06 EP disclosed
WO-2006030010-A1 2-ALKYLIDENE- AND 2-(ALKYL-1-ENE)-CYCLOPENTANONE AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2006-03-23 WO disclosed