SCHEMBL9688640

SCHEMBL9688640

CCCSC(SCCC)c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.46
LMNA P02545 3/20 0.46
GALR3 O60755 1/20 0.46
ADRB1 P08588 2/20 0.45
ADRA1A P35348 2/20 0.45
TSHR P16473 2/20 0.45
ADRB2 P07550 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRB3 P13945 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
NFKB1 P19838 1/20 0.45
DRD1 P21728 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45
RAB9A P51151 1/20 0.45
SLC6A3 Q01959 1/20 0.45
BLM P54132 2/20 0.44

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
SCHEMBL9266984 0.77 CYSLTR2 (0.45) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL11619633 0.76 OPRM1 (0.54) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL11789750 0.75 ADRB1 (0.50) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL9687796 0.73 CYSLTR2 (0.51) TSHRKDM4EGAACYSLTR2CYSLTR1
SCHEMBL5563575 0.72 HIF1A (0.50) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL5014485 0.71 OPRM1 (0.67) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL5177521 0.71 OPRM1 (0.67) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL2383072 0.71 HIF1A (0.53) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL27514771 0.71 SLC22A1 (0.57) HIF1ALMNAGALR3ADRB1ADRA1A
SCHEMBL4843327 0.70 HIF1A (0.62) HIF1ALMNAGALR3ADRB1ADRA1A

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