SCHEMBL9688764

SCHEMBL9688764

CCCSC(SCCC)c1ccccc1OCc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.44
CYSLTR1 Q9Y271 4/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
ALOX5 P09917 4/20 0.40
RAB9A P51151 1/20 0.40
PPARG P37231 1/20 0.39
CAPN1 P07384 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
MAOB P27338 1/20 0.38
CES2 O00748 1/20 0.38
CYP19A1 P11511 1/20 0.37

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
SCHEMBL9688759 0.79 ALOX5 (0.51) CYSLTR2CYSLTR1ALOX5
Hydrochloric Acid SCHEMBL9688459 0.77 CYSLTR1 (0.47) CYSLTR2CYSLTR1CYP1A2ALOX5
SCHEMBL9688234 0.74 CYSLTR2 (0.41) CYSLTR2CYSLTR1ALOX5RAB9A
SCHEMBL9689541 0.74 CYSLTR2 (0.48) CYSLTR2CYSLTR1CYP1A2
Hydrochloric Acid SCHEMBL9688777 0.73 CYSLTR2 (0.41) CYSLTR2CYSLTR1ALOX5RAB9A
Hydrochloric Acid SCHEMBL9688368 0.73 CYSLTR2 (0.47) CYSLTR2CYSLTR1CYP1A2
SCHEMBL9598981 0.71 RAB9A (0.50) CYP1A2CYP2A6ALOX5RAB9ACAPN1
SCHEMBL10434818 0.71 APP (0.60) CYP1A2CYP2A6ALOX5RAB9A
SCHEMBL9689103 0.71 MAPT (0.41) CYSLTR2CYSLTR1RAB9ACNR2
SCHEMBL9689507 0.71 NPC1 (0.58) CYSLTR2CYSLTR1CYP1A2ALOX5RAB9A

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