SCHEMBL7832196

SCHEMBL7832196

COC(=O)OC1=C(OS(=O)(=O)C(F)(F)F)c2ccccc2S(=O)(=O)N1Cc1ccc2c(c1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.43
NPC1 O15118 2/20 0.41
HSP90AA1 P07900 2/20 0.41
RAB9A P51151 2/20 0.41
PAX8 Q06710 1/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 5/20 0.40
XBP1 P17861 1/20 0.39
FAAH O00519 1/20 0.36
POLB P06746 2/20 0.36
USP9X Q93008 3/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
STING1 Q86WV6 1/20 0.35

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
SCHEMBL7824156 0.95 ALDH1A1 (0.46) HSD11B1ALDH1A1L3MBTL1HTTMAPT
SCHEMBL7341323 0.87 HSD11B1 (0.49) HSD11B1NPC1HSP90AA1RAB9APAX8
SCHEMBL7831952 0.86 HSD11B1 (0.52) HSD11B1GAAMAPTPOLBLMNA
SCHEMBL7829083 0.86 POLB (0.42) ALDH1A1POLBLMNA
SCHEMBL7824055 0.86 POLB (0.42) ALDH1A1L3MBTL1HTTPOLBLMNA
SCHEMBL7817798 0.84 HSD11B1 (0.41) HSD11B1ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL7827530 0.83 HSD11B1 (0.43) HSD11B1NPC1HSP90AA1RAB9APAX8
SCHEMBL7827728 0.83 EDNRB (0.42) NPC1RAB9AGAAHTTMAPT
SCHEMBL7826340 0.83 EDNRB (0.42) NPC1RAB9AALDH1A1L3MBTL1HTT
SCHEMBL7334097 0.82 HSD11B1 (0.49) HSD11B1ALDH1A1L3MBTL1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP claimed