SCHEMBL8634792

SCHEMBL8634792

CC(=O)C(=O)C(C)Sc1ccoc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
ESR2 Q92731 1/20 0.32
ALOX5 P09917 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 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
SCHEMBL11818438 0.86 HPGD (0.37) HPGDKDM4ELMNAALDH1A1TP53
SCHEMBL7413304 0.83 KDM4E (0.42) HPGDKDM4ELMNAALDH1A1TP53
SCHEMBL4572613 0.75 HPGD (0.35) HPGDKDM4ELMNAALDH1A1TP53
SCHEMBL11825483 0.73 HPGD (0.36) HPGDKDM4ELMNAALDH1A1TP53
SCHEMBL9276486 0.71 DDB1 (0.34) HPGDKDM4ELMNADDB1CRBN
SCHEMBL10888602 0.70 TP53 (0.42) HPGDKDM4ELMNAALDH1A1TP53
SCHEMBL8636494 0.70 HTT (0.34) ALDH1A1ALOX5POLBKMT2A
SCHEMBL3506615 0.69 HPGD (0.35) HPGDKDM4ELMNAALDH1A1TP53
SCHEMBL5496057 0.67 KDM4E (0.41) HPGDKDM4ELMNAALDH1A1TP53
SCHEMBL28886962 0.67 TSHR (0.41) HPGDKDM4ELMNAALDH1A1TP53

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
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
EP-0591763-A1 Use of thioalkanediones as flavouring agents HAARMANN & REIMER GMBH (DE) 1994-04-13 EP disclosed