SCHEMBL4413348

SCHEMBL4413348

C=CC(C)(O)C(CC=C(C)C)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33

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
SCHEMBL11005598 0.83 ALOX15 (0.41) ALOX15
SCHEMBL1302638 0.75 ALOX15 (0.44) ALOX15
SCHEMBL454434 0.75 ALOX15 (0.44) ALOX15
SCHEMBL3109209 0.72 ALOX15 (0.41) ALOX15
SCHEMBL28553751 0.70 ALOX15 (0.40) ALOX15
SCHEMBL11002234 0.70 ALOX15 (0.53) ALOX15
SCHEMBL301115 0.69 ALOX15 (0.39) ALOX15
SCHEMBL11848702 0.69 ALOX15 (0.32) ALOX15
SCHEMBL11848711 0.69 ALOX15 (0.32) ALOX15
SCHEMBL11468847 0.68 ALOX15 (0.34) ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339659-B1 SUBSTITUTED CYCLOHEXENES GIVAUDAN SA (CH) 2009-02-04 EP disclosed
US-7078570-B2 Substituted cyclohexenes GIVAUDAN SA (CH) 2006-07-18 US disclosed
EP-1339659-A1 SUBSTITUTED CYCLOHEXENES Givaudan SA (CH) 2003-09-03 EP disclosed
WO-2002046131-A1 SUBSTITUTED CYCLOHEXENES GIVAUDAN SA (CH) 2002-06-13 WO disclosed
EP-1213276-A1 Substituted cyclohexenes Givaudan SA (CH) 2002-06-12 EP disclosed