SCHEMBL9689103

SCHEMBL9689103

CCCSC(SCCC)c1ccccc1OCc1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CNR2 P34972 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
HPGD P15428 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL9689101 0.79 CYSLTR1 (0.42) MAPTRAB9ANPC1CYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL9688459 0.75 CYSLTR1 (0.47) CYSLTR2CYSLTR1KMT2AMEN1TP53
SCHEMBL9688234 0.75 CYSLTR2 (0.41) MAPTRAB9ANPC1CYSLTR2CYSLTR1
SCHEMBL9689507 0.74 NPC1 (0.58) MAPTRAB9ANPC1CYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL9688777 0.74 CYSLTR2 (0.41) MAPTRAB9ANPC1CYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL9688712 0.74 RAB9A (0.61) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL9689541 0.73 CYSLTR2 (0.48) CYSLTR2CYSLTR1
Hydrochloric Acid SCHEMBL9688368 0.72 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL9688764 0.71 CYSLTR2 (0.44) RAB9ACYSLTR2CYSLTR1CNR2
Hydrochloric Acid SCHEMBL9688784 0.69 CYSLTR1 (0.50) CYSLTR2CYSLTR1KMT2AMEN1TP53

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