SCHEMBL9689101

SCHEMBL9689101

CCCSC(SCCC)c1cccc(OCc2nc3ccccc3o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 6/20 0.42
CYSLTR2 Q9NS75 5/20 0.42
MAPK1 P28482 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX5 P09917 2/20 0.40
GPBAR1 Q8TDU6 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL10632305 0.80 GPBAR1 (0.64) CYSLTR1CYSLTR2MAPK1MEN1KMT2A
SCHEMBL9689103 0.79 MAPT (0.41) CYSLTR1CYSLTR2MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL9689743 0.77 CYSLTR1 (0.64) CYSLTR1CYSLTR2MAPK1MEN1KMT2A
SCHEMBL9688226 0.77 CYSLTR1 (0.45) CYSLTR1CYSLTR2MAPK1MEN1KMT2A
SCHEMBL9689503 0.76 NPC1 (0.56) CYSLTR1CYSLTR2MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL9688773 0.76 CYSLTR1 (0.44) CYSLTR1CYSLTR2MAPK1MEN1KMT2A
SCHEMBL17148057 0.76 GPBAR1 (0.46) CYSLTR1ALOX5GPBAR1TP53LMNA
Hydrochloric Acid SCHEMBL9688620 0.75 RAB9A (0.60) MAPK1MEN1KMT2ATP53LMNA
Hydrochloric Acid SCHEMBL9688706 0.75 RAB9A (0.64) TP53SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL9689538 0.75 CYSLTR2 (0.49) CYSLTR1CYSLTR2MAPK1MEN1KMT2A

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