SCHEMBL4125542

SCHEMBL4125542

C=CCc1occ(C)c1CCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH1B1 P30837 1/20 0.33
ALDH1A3 P47895 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
SCHEMBL4130120 0.91 MAPT (0.32) ALDH1A2ALDH1A1ALDH2ALDH1B1ALDH1A3
SCHEMBL4122376 0.85 KDM4E (0.33)
SCHEMBL3929297 0.79 ALDH1A1 (0.37) ALDH1A2ALDH1A1ALDH2ALDH1B1ALDH1A3
SCHEMBL4133031 0.77
SCHEMBL4132560 0.75
SCHEMBL4134871 0.71 KDM4E (0.33)
SCHEMBL14389407 0.71 ALDH1A1 (0.34) ALDH1A2ALDH1A1ALDH2ALDH1B1ALDH1A3
SCHEMBL4134640 0.70 KDM4E (0.33)
SCHEMBL4132259 0.70
SCHEMBL3930085 0.69 MAPT (0.36) ALDH1A2ALDH1A1ALDH2ALDH1B1ALDH1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027101-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES Symrise GmbH & Co. KG (DE) 2009-02-25 EP claimed
WO-2007131834-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2007-11-22 WO claimed
EP-2027101-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES Symrise GmbH & Co. KG (DE) 2009-02-25 EP disclosed
WO-2007131834-A1 TRISUBSTITUTED FURAN DERIVATIVES AS FRAGRANCES AND AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2007-11-22 WO disclosed