SCHEMBL6153738

SCHEMBL6153738

OCC(CO)Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.54
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
IDO1 P14902 3/20 0.42
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKACA P17612 1/20 0.39
RPS6KB1 P23443 1/20 0.39
IRAK1 P51617 1/20 0.39
PRKX P51817 1/20 0.39
LIMK1 P53667 1/20 0.39
PRKG2 Q13237 1/20 0.39
ROCK1 Q13464 1/20 0.39
PRKG1 Q13976 1/20 0.39
PKN2 Q16513 1/20 0.39
HIPK4 Q8NE63 1/20 0.39

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
SCHEMBL31648185 0.87 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL344690 0.87 SLC6A2 (0.48) SLC6A4SLC6A2SLC6A3PPARGPPARA
Hydrochloric Acid SCHEMBL31648401 0.86 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL1779366 0.79 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL11564867 0.79 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL652674 0.79 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL1430298 0.79 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL7957756 0.79 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3PPARGPPARA
SCHEMBL9390631 0.78 TAAR1 (0.52) SLC6A2TAAR1MEN1KMT2A
SCHEMBL13207585 0.78 TRPA1 (0.38) SLC6A4SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154989-B1 VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF PACIFIC CORP (KR) 2005-12-14 EP disclosed
EP-0916654-B1 SULFONIC ESTER DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USE THEREOF KANEKA CORP (JP) 2005-02-23 EP disclosed
US-6476076-B1 Vanilloid analogues containing resinferatoxin pharmacophores as potent vanilloid receptor agonists and analgesics, compositions and uses thereof PACIFIC CORPORATION (KR) 2002-11-05 US disclosed
US-6410773-B1 OPTICAL ACTIVE MATERIAL; ENKEPHALINASE INHIBITORS; HYPOTENSIVE AGENTS KANEKA CORPORATION (JP) 2002-06-25 US disclosed
US-6121477-A Sulfonic ester derivatives, process for preparing the same, and use thereof KANEKA CORPORATION (JP) 2000-09-19 US disclosed
EP-0461958-B1 2-(aminoalkyl)-5-(arylalkyl)1,3-dioxanderivatives their production and their use in therapeutics SYNTHELABO (FR) 1994-09-14 EP disclosed
US-5192797-A Antiepileptic and anticonvulsant agents SYNTHELABO (FR) 1993-03-09 US disclosed
EP-0461958-A1 2-(aminoalkyl)-5-(arylalkyl)1,3-dioxanderivatives their production and their use in therapeutics SYNTHELABO (FR) 1991-12-18 EP disclosed