SCHEMBL9689364

SCHEMBL9689364

c1ccc(CSC(SCc2ccccc2)c2ccccc2OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.51
CYSLTR2 Q9NS75 4/20 0.51
GPBAR1 Q8TDU6 5/20 0.45
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
PDE10A Q9Y233 1/20 0.42

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
Hydrochloric Acid SCHEMBL9689602 0.86 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1PDE10A
Hydrochloric Acid SCHEMBL9688459 0.82 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1PDE10A
Hydrochloric Acid SCHEMBL9688324 0.81 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
Hydrochloric Acid SCHEMBL9688784 0.80 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1PDE10A
Hydrochloric Acid SCHEMBL9688760 0.80 CYSLTR1 (0.50) CYSLTR1CYSLTR2GPBAR1PDE10A
Hydrochloric Acid SCHEMBL9688225 0.79 GPBAR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9689357 0.78 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9460703 0.74 ALOX5 (0.61) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL10465701 0.73 CYSLTR1 (0.46) CYSLTR1CYSLTR2GPBAR1PDE10A
Hydrochloric Acid SCHEMBL9688827 0.72 CYSLTR1 (0.45) CYSLTR1CYSLTR2GPBAR1PDE10A

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