SCHEMBL9259463

SCHEMBL9259463

COC(=O)CSC1CCCCC1Sc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.41
CTSL P07711 1/20 0.41
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
PLA2G1B P04054 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
EPHX2 P34913 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36

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
SCHEMBL9259467 1.00 CTSK (0.41) CTSKCTSLPTGDRPTGDR2PLA2G1B
SCHEMBL9263608 0.86 CTSK (0.41) CTSKL3MBTL1DDB1CRBNMEN1
SCHEMBL9259858 0.86 MTNR1A (0.45) CTSKDDB1CRBNNPC1RAB9A
SCHEMBL9259854 0.86 MTNR1A (0.45) CTSKDDB1CRBNNPC1RAB9A
SCHEMBL9263612 0.86 CTSK (0.41) CTSKL3MBTL1DDB1CRBNMEN1
SCHEMBL9263516 0.85 HPGD (0.45) CTSKPTGDRPTGDR2PLA2G1BTSHR
SCHEMBL9263521 0.85 HPGD (0.45) CTSKPTGDRPTGDR2PLA2G1BTSHR
SCHEMBL9598230 0.85 L3MBTL1 (0.44) CTSKCTSLPTGDRPTGDR2TSHR
SCHEMBL9598226 0.85 L3MBTL1 (0.44) CTSKCTSLPTGDRPTGDR2TSHR
SCHEMBL9263327 0.84 SLC6A3 (0.41) L3MBTL1RAB9AMEN1KMT2A

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
US-5476944-A Inhibitors or stimulators of superoxide generation; may also inhibit cyclooxygenase and/or 5-lipoxygenase; useful in therapeutic or prophylactic treatment of disease conditions G. D. SEARLE & CO. (US) 1995-12-19 US disclosed
EP-0613463-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1994-09-07 EP disclosed
WO-1993010087-A1 DERIVATIVES OF CYCLIC PHENOLIC THIOETHERS AS INHIBITORS OR STIMULATORS OF SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed