SCHEMBL7028797

SCHEMBL7028797

CCCCCCC1COCC[N]1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
ALDH1A1 P00352 1/20 0.44
EPHX1 P07099 1/20 0.41
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SPHK1 Q9NYA1 4/20 0.34
SPHK2 Q9NRA0 3/20 0.34
SCN2A Q99250 2/20 0.34
PKM P14618 1/20 0.33
ALOX5 P09917 1/20 0.33
CYP1A2 P05177 3/20 0.32
GBA1 P04062 3/20 0.32

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
SCHEMBL4686306 0.98 NOS1 (0.47) NOS1NOS2ALDH1A1EPHX1MEN1
SCHEMBL7510997 0.92 NOS1 (0.53) NOS1NOS2ALDH1A1EPHX1CYP1A2
SCHEMBL9432426 0.85 NOS1 (0.41) NOS1NOS2ALDH1A1EPHX1MEN1
SCHEMBL2199293 0.84
SCHEMBL7514850 0.81 SIGMAR1 (0.40) NOS1NOS2EPHX1
SCHEMBL7510051 0.79 SIGMAR1 (0.37) NOS1NOS2
SCHEMBL7505207 0.78 GNAI3 (0.40) NOS1NOS2ALDH1A1EPHX1
SCHEMBL7476348 0.77 NOS1 (0.34) NOS1NOS2
SCHEMBL7511880 0.76 NOS1 (0.35) NOS1NOS2
SCHEMBL1608120 0.76

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0678569-B1 Lubricating compositions with improved oxidation resistance containing a dispersant and an antioxidant LUBRIZOL CORP (US) 2003-02-26 EP disclosed
US-20010056042-A1 Organophosphoryl borates and lubricants and aqueous fluids containing the same SCHWIND JAMES J (US) 2001-12-27 US disclosed
US-6228818-B1 ANTI-WEAR, EXTREME PRESSURE AND FRICTION MODIFYING AGENTS THE LUBRIZOL CORPORATION 2001-05-08 US disclosed
EP-0610045-B1 Use of moly dithiocarbamate as an antiwear additive for ceramic/metal interface LUBRIZOL CORP (US) 1999-05-06 EP disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5445749-A Lubricating metal-ceramic interface with composition of carrier fluid and copper, cobalt, nickel, tungsten, titanium, manganese, molybdenum, iron, chromium, vanadium or rare earth thiocarbamate; improving wear performance THE LUBRIZOL CORPORATION (US) 1995-08-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0537338-B1 THERMALLY STABLE COMPOSITIONS AND LUBRICANTS AND FUNCTIONAL FLUIDS CONTAINING THE SAME LUBRIZOL CORP (US) 1995-06-07 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1992019703-A1 THERMALLY STABLE COMPOSITIONS AND LUBRICANTS AND FUNCTIONAL FLUIDS CONTAINING THE SAME THE LUBRIZOL CORPORATION (US) 1992-11-12 WO disclosed
US-5147572-A Metal salt of phosphorus acid derivative, dithiocarbamate THE LUBRIZOL CORPORATION (US) 1992-09-15 US disclosed
US-5094746-A Metal salt of a phosphorus acid, a dithiocarbamate and a thionocarbamate THE LUBRIZOL CORPORATION (US) 1992-03-10 US disclosed
WO-1991019569-A1 ORE FLOTATION PROCESS USING CARBAMATE COMPOUNDS THE LUBRIZOL CORPORATION (US) 1991-12-26 WO disclosed
WO-1991019570-A1 A FLOTATION PROCESS USING A MIXTURE OF COLLECTORS THE LUBRIZOL CORPORATION (US) 1991-12-26 WO disclosed
US-5015368-A Ore flotation process using carbamate compounds THE LUBRIZOL CORPORATION (US) 1991-05-14 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
EP-0115334-B1 BENZO-HETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-07-22 EP disclosed
US-4594347-A MICROBIOCIDES OTSUKA PHARMACEUTICAL CO. LIMITED (JP) 1986-06-10 US disclosed
EP-0115334-A1 Benzo-heterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-08 EP disclosed