SCHEMBL22368466

SCHEMBL22368466

CCCC(C)(C)OC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ HCRTR1 O43613 2/20 0.45
▸ HCRTR2 O43614 2/20 0.45
▸ APP P05067 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ STS P08842 1/20 0.40

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
SCHEMBL12656193 0.88 L3MBTL1 (0.57) L3MBTL1HCRTR1HCRTR2ALDH1A1STS
SCHEMBL12627108 0.80 HCRTR1 (0.48) L3MBTL1HCRTR1HCRTR2ALDH1A1
SCHEMBL12655726 0.79 L3MBTL1 (0.60) L3MBTL1HCRTR1HCRTR2ALDH1A1
SCHEMBL15426422 0.78 HCRTR1 (0.51) L3MBTL1HCRTR1HCRTR2ALDH1A1
SCHEMBL12623931 0.78 HCRTR1 (0.48) L3MBTL1HCRTR1HCRTR2ALDH1A1
SCHEMBL12623954 0.78 L3MBTL1 (0.64) L3MBTL1HCRTR1HCRTR2ALDH1A1
SCHEMBL12655883 0.77 HCRTR1 (0.50) L3MBTL1HCRTR1HCRTR2ALDH1A1
SCHEMBL12627185 0.77 HCRTR1 (0.50) L3MBTL1HCRTR1HCRTR2ALDH1A1
SCHEMBL12626531 0.77 MMP1 (0.50) L3MBTL1HCRTR1HCRTR2ALDH1A1STS
SCHEMBL15694914 0.77 L3MBTL1 (0.53) L3MBTL1HCRTR1HCRTR2ALDH1A1STS

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-3791875-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS Pain Therapeutics, Inc. (US) 2021-03-17 — — EP disclosed
EP-3054956-B1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS PAIN THERAPEUTICS INC (US) 2020-08-26 — — EP disclosed
Send feedback