SCHEMBL8635941

SCHEMBL8635941

CCC(=O)C(=O)CSc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
FKBP1A P62942 2/20 0.47
NPC1 O15118 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
TSHR P16473 1/20 0.45
HSD17B10 Q99714 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 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
SCHEMBL13461018 0.82 FFAR1 (0.63) FFAR1ALDH1A1HPGDFKBP1ANPC1
SCHEMBL8635949 0.82 FFAR1 (0.63) FFAR1ALDH1A1FKBP1ANPC1MEN1
SCHEMBL7269857 0.81 FFAR1 (0.68) FFAR1ALDH1A1HPGDFKBP1ANPC1
SCHEMBL7329978 0.78 ALDH1A1 (0.56) FFAR1ALDH1A1HPGDNPC1MEN1
SCHEMBL7407 0.77 FFAR1 (0.68) FFAR1ALDH1A1FKBP1ANPC1MEN1
SCHEMBL9179407 0.76 FFAR1 (0.74) FFAR1ALDH1A1HPGDFKBP1ANPC1
SCHEMBL74365 0.76 FFAR1 (1.00) FFAR1ALDH1A1FKBP1ANPC1MEN1
SCHEMBL30532573 0.76 FFAR1 (0.80) FFAR1ALDH1A1HPGDNPC1MEN1
SCHEMBL11118013 0.75 FFAR1 (0.65) FFAR1ALDH1A1HPGDFKBP1ANPC1
SCHEMBL9034251 0.75 FFAR1 (0.65) FFAR1ALDH1A1HPGDFKBP1ANPC1

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