SCHEMBL9687796

SCHEMBL9687796

CCCSC(SCCC)c1cccc(OC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 5/20 0.51
CYSLTR1 Q9Y271 5/20 0.51
ACHE P22303 5/20 0.42
BCHE P06276 4/20 0.42
FAAH O00519 1/20 0.42
MARK4 Q96L34 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
Dimethylamine SCHEMBL9687700 0.78 CYSLTR2 (0.51) CYSLTR2CYSLTR1KDM4ETSHRALDH1A1
SCHEMBL19121851 0.76 ACHE (0.41) CYSLTR2CYSLTR1ACHEBCHEFAAH
SCHEMBL18713464 0.75 HDAC4 (0.49) ACHEBCHEFAAHRXRARXRB
SCHEMBL18713611 0.75 ACHE (0.43) ACHEBCHEFAAHMARK4RXRA
Hydrochloric Acid SCHEMBL9687695 0.75 CYSLTR2 (0.54) CYSLTR2CYSLTR1KDM4ETSHRALDH1A1
SCHEMBL2737262 0.74 KDM4E (0.49) ACHEBCHEFAAHRXRARXRB
SCHEMBL9688640 0.73 HIF1A (0.46) CYSLTR2CYSLTR1ACHEKDM4ETSHR
SCHEMBL6055399 0.73 L3MBTL1 (0.47) CYSLTR2CYSLTR1ACHEBCHEFAAH
SCHEMBL9689538 0.73 CYSLTR2 (0.49) CYSLTR2CYSLTR1KDM4ETSHRALDH1A1
SCHEMBL6055487 0.72 LMNA (0.50) ACHEBCHEFAAHMARK4RXRA

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
EP-0291916-B1 DITHIOACETAL COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-12 EP disclosed
US-5081126-A QUINOLYL- AND ISOQUINOLYL-METHOXYPHENYL-DITHIOACETYL DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-14 US disclosed
US-4963576-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; 5-LIPOXYGENASE INHIBITOR FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
EP-0291916-A1 Dithioacetal compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-23 EP disclosed