SCHEMBL1722592

SCHEMBL1722592

NCCC(O)c1c(O)cccc1S(=O)(=O)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15134556 0.76 EGLN1 (0.32)
SCHEMBL1710530 0.75 AGTR2 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1710478 0.74 SERPINE1 (0.35)
SCHEMBL1722347 0.73 NPC1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL1710688 0.73 AGTR2 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1710690 0.71 AGTR2 (0.33) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23613830 0.70 PTGES2 (0.42) ALOX5APFEN1
SCHEMBL1710622 0.70 AKT1 (0.34) SMN1; SMN2MEN1KMT2A
SCHEMBL1722776 0.69 ADRA2C (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1710590 0.68 OPRM1 (0.34) ALDH1A1NPC1HPGDNFKB1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO disclosed