SCHEMBL9737711

SCHEMBL9737711

CC(=O)CCSc1ccsc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
PTPRC P08575 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 4/20 0.32
PTPRG P23470 1/20 0.32
GSK3B P49841 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 4/20 0.31
HPGD P15428 3/20 0.31
LMNA P02545 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 3/20 0.31
RECQL P46063 2/20 0.31
CTDSP1 Q9GZU7 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 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
SCHEMBL8636659 0.76 KMT2A (0.42) KMT2APTPRCALDH1A1MAPTHPGD
SCHEMBL266573 0.75 KMT2A (0.47) KMT2APTPRCALDH1A1HSD17B10MAPT
SCHEMBL25279652 0.74 HTR7 (0.31)
SCHEMBL5990361 0.71
SCHEMBL9737844 0.70 ALDH1A1 (0.33) KMT2AALDH1A1GSK3BMAPTHPGD
SCHEMBL23531271 0.69 PTGS2 (0.40) PTGS2ALDH1A1HPGDLMNANPSR1
SCHEMBL907414 0.67 HPGD (0.60) ALDH1A1MAPTHPGDLMNAL3MBTL1
SCHEMBL26083083 0.67 CYP1A2 (0.43) KMT2APTGS2ALDH1A1HSD17B10MAPT
SCHEMBL8588321 0.66 MEN1 (0.33) KMT2AALDH1A1MAPTL3MBTL1POLB
SCHEMBL6912718 0.64 ALDH1A1 (0.60) KMT2AALDH1A1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145703-A Adding to foods to enhance flavor HAARMANN & REIMER (DE) 1992-09-08 US disclosed
EP-0459198-A2 Thioalkanones, procedure for their preparation and their use HAARMANN & REIMER GMBH (DE) 1991-12-04 EP disclosed