SCHEMBL8635949

SCHEMBL8635949

CC(=O)C(=O)CSc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.63
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
HTT P42858 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.46
FKBP1A P62942 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.44
CXCL12 P48061 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7269857 0.83 FFAR1 (0.68) FFAR1MEN1KMT2ANPC1CA1
SCHEMBL7407 0.83 FFAR1 (0.68) FFAR1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8635941 0.82 FFAR1 (0.61) FFAR1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL94582 0.78 FFAR1 (0.60) FFAR1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL9179407 0.78 FFAR1 (0.74) FFAR1MEN1KMT2ANPC1CA1
SCHEMBL74365 0.78 FFAR1 (1.00) FFAR1MEN1KMT2ANPC1HTT
SCHEMBL2210143 0.78 FFAR1 (0.61) FFAR1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL11118013 0.77 FFAR1 (0.65) FFAR1MEN1KMT2ANPC1CA1
SCHEMBL11543504 0.76 FFAR1 (0.59) FFAR1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL7329978 0.76 ALDH1A1 (0.56) FFAR1MEN1KMT2ANPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591763-B1 Use of thioalkanediones as flavouring agents HAARMANN & REIMER GMBH (DE) 1998-07-29 EP claimed
EP-0591763-A1 Use of thioalkanediones as flavouring agents HAARMANN & REIMER GMBH (DE) 1994-04-13 EP claimed
JP-6228084-A None JP disclosed
EP-0591763-B1 Use of thioalkanediones as flavouring agents HAARMANN & REIMER GMBH (DE) 1998-07-29 EP disclosed
US-5466827-A IMPARTING A MEATY AROMA TO A FOOD HAARMANN & REIMER GMBH (DE) 1995-11-14 US disclosed
JP-H06228084-A USE OF THIOALKANEDIONE AS AROMA SUBSTANCE HAARMANN & REIMER GMBH 1994-08-16 JP disclosed
EP-0591763-A1 Use of thioalkanediones as flavouring agents HAARMANN & REIMER GMBH (DE) 1994-04-13 EP disclosed