SCHEMBL8635994

SCHEMBL8635994

CC(=O)C(=O)CSc1ccoc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 8/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2959541 0.82 CYP1A2 (0.44) TSHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL30308541 0.80 TSHR (0.37) TSHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL28540833 0.75 TSHR (0.41) TSHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL28537584 0.73 ALDH1A1 (0.36) TSHRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2968803 0.72 MAP2K7 (0.43) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL921135 0.72 CA12 (0.41) TSHRALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL4572616 0.71
SCHEMBL27788661 0.70 TSHR (0.37) TSHRALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL8636659 0.69 KMT2A (0.42) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL28886962 0.68 TSHR (0.41) TSHRALDH1A1MAPTSMN1; SMN2KDM4E

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
US-5466827-A IMPARTING A MEATY AROMA TO A FOOD HAARMANN & REIMER GMBH (DE) 1995-11-14 US claimed
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