SCHEMBL9689338

SCHEMBL9689338

CCCSC(SCCC)c1cccc(OCc2nc3cc(Cl)ccc3s2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5 P09917 5/20 0.40
EPHX2 P34913 5/20 0.40
CYSLTR2 Q9NS75 3/20 0.39
CYSLTR1 Q9Y271 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
PPARA Q07869 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ATP4A P20648 1/20 0.37
ATP4B P51164 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL9689601 0.88 NPC1 (0.41) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL9689503 0.88 NPC1 (0.56) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL9689344 0.81 SMN1; SMN2 (0.44) LOXL2NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL21104650 0.77 EPHX2 (0.46) LOXL2ALOX5EPHX2HDAC6
SCHEMBL9687773 0.74 CYSLTR2 (0.41) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL9689626 0.72 NPC1 (0.59) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL15689588 0.72 PTGER4 (0.51) LOXL2NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL21104408 0.71 PTGER4 (0.52) ALOX5EPHX2HDAC6
SCHEMBL9689609 0.70 NPC1 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL15713316 0.70 PTGER4 (0.54) ALOX5EPHX2HDAC6

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 3 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-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