SCHEMBL3136053

SCHEMBL3136053

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.39
ALDH1A1 P00352 2/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TGFBR1 P36897 1/20 0.34
TSHR P16473 1/20 0.33
PPARG P37231 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TET2 Q6N021 3/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
TET3 O43151 1/20 0.31
TET1 Q8NFU7 1/20 0.31
ESRRB O95718 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
SCHEMBL13329286 0.91 ALDH1A1 (0.39) MMEALDH1A1GRNSORT1KMT2A
SCHEMBL4144659 0.87 ALDH1A1 (0.36) MMEALDH1A1KMT2ASMN1; SMN2TSHR
SCHEMBL9290922 0.81 TET2 (0.39) ALDH1A1GRNSORT1SMN1; SMN2TGFBR1
SCHEMBL13941536 0.81 MME (0.38) MMEALDH1A1KMT2ASMN1; SMN2PPARG
SCHEMBL7707105 0.79 MME (0.42) MMEKMT2ASMN1; SMN2TSHRPPARG
SCHEMBL4144935 0.77 GRN (0.36) ALDH1A1GRNSORT1SMN1; SMN2TGFBR1
SCHEMBL14870828 0.76 ESRRB (0.41) ALDH1A1KMT2ASMN1; SMN2TSHRCA1
SCHEMBL26625811 0.76 ESRRB (0.41) ALDH1A1KMT2ASMN1; SMN2TSHRCA1
SCHEMBL7046871 0.75 KMT2A (0.44) MMEALDH1A1GRNSORT1KMT2A
SCHEMBL27351667 0.75 MME (0.42) MMEKMT2ASMN1; SMN2TGFBR1TSHR

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-2079528-B1 USE IN PERFUMERY AND FLAVOURING AND PROCESS FOR THE PREPARATION OF 5,5-DIMETHYL-3-ETHYL-3,4-DIHYDROFURAN-2-ONE MANE FILS V (FR) 2010-07-21 EP disclosed
CN-101583399-A Use in perfumery and flavouring and process for the preparation of 5,5-dimethyl-3-ethyl-3,4-dihydrofuran-2-one MANE FILS V (FR) 2009-11-18 CN disclosed
EP-2079528-A2 USE IN PERFUMERY AND FLAVOURING AND PROCESS FOR THE PREPARATION OF 5,5-DIMETHYL-3-ETHYL-3,4-DIHYDROFURAN-2-ONE V. Mane Fils (FR) 2009-07-22 EP disclosed
WO-2008040897-A2 USE IN PERFUMERY AND FLAVOURING AND PROCESS FOR THE PREPARATION OF 5,5-DIMETHYL-3-ETHYL-3,4-DIHYDROFURAN-2-ONE V. MANE FILS (FR) 2008-04-10 WO disclosed