SCHEMBL4130757

SCHEMBL4130757

C=CCc1coc(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
POLB P06746 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL11738692 0.78
SCHEMBL8675677 0.70
SCHEMBL4134871 0.70 KDM4E (0.33) POLB
SCHEMBL8970670 0.66 GABRA1 (0.38) CYP3A4ALOX15GABRA1GABRB2POLB
SCHEMBL22355711 0.65 GABRA1 (0.54) MEN1KMT2AGABRA1GABRB2
SCHEMBL4140872 0.65 ALOX5 (0.41) MEN1KMT2ACYP3A4ALOX15GABRA1
SCHEMBL4132560 0.65
SCHEMBL6846462 0.64 GABRA1 (0.38) MEN1KMT2ACYP3A4ALOX15GABRA1
SCHEMBL5849191 0.62 GABRA1 (0.45) MEN1KMT2ACYP3A4GABRA1GABRB2
SCHEMBL14816432 0.62 GABRA1 (0.36) MEN1KMT2ACYP3A4ALOX15GABRA1

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