SCHEMBL4866571

SCHEMBL4866571

CCCC1=COC(O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL16644803 0.65 NR1H4 (0.36)
SCHEMBL19547007 0.65 TRPV6 (0.33)
SCHEMBL10175025 0.63
SCHEMBL14819890 0.59 ACHE (0.34)
SCHEMBL28297092 0.58
SCHEMBL5588713 0.58 CA2 (0.33)
SCHEMBL10703288 0.58 STAT3 (0.50) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL17866831 0.57
SCHEMBL20837446 0.56 PPARG (0.33) MAPTHSD17B10
SCHEMBL16431219 0.56 NR1H4 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7316826-B2 Coffee aroma with improved stability SYMRISE GMBH & CO. KG (DE) 2008-01-08 US claimed
US-20040202767-A1 Coffee aroma with improved stability SYMRISE AG (DE) 2004-10-14 US claimed
US-7316826-B2 Coffee aroma with improved stability SYMRISE GMBH & CO. KG (DE) 2008-01-08 US disclosed