SCHEMBL8545882

SCHEMBL8545882

O=C(CCCCO)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.68
HDAC8 Q9BY41 1/20 0.68
PLOD2 O00469 2/20 0.57
ALDH1A1 P00352 1/20 0.52
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
HCAR3 P49019 1/20 0.52
HCAR2 Q8TDS4 1/20 0.52
THRB P10828 1/20 0.51
PLOD3 O60568 1/20 0.51
PLOD1 Q02809 1/20 0.51
TBXAS1 P24557 7/20 0.50
CTNNB1 P35222 1/20 0.50
WNT3A P56704 1/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
SARM1 Q6SZW1 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT6 Q8N6T7 1/20 0.50
SIRT1 Q96EB6 1/20 0.50

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
SCHEMBL9549825 0.98 HDAC1 (0.70) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL2945748 0.95 HDAC1 (0.65) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL30096366 0.95 HDAC1 (0.65) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL9405126 0.87 PLOD2 (0.62) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL7075878 0.85 PLOD2 (0.69) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL6745563 0.85 HDAC1 (0.66) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL3380708 0.85 HDAC1 (0.70) HDAC1HDAC8TBXAS1TBXA2RHDAC6
SCHEMBL7449419 0.85 HDAC1 (0.66) HDAC1HDAC8PLOD2ALDH1A1APP
SCHEMBL552357 0.85 HDAC1 (0.66) HDAC1HDAC8PLOD2ALDH1A1TBXAS1
SCHEMBL9010434 0.85 HDAC1 (0.66) HDAC1HDAC8PLOD2ALDH1A1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780636-A Process for thiopyrans RHONE-POULENC RORER LIMITED (GB) 1998-07-14 US claimed
EP-0707583-B1 PROCESS FOR THE PREPARATION OF THIOPYRANS RHONE POULENC RORER LTD (GB) 1998-05-20 EP claimed
EP-0707583-A1 PROCESS FOR THE PREPARATION OF THIOPYRANS RHONE-POULENC RORER LIMITED (GB) 1996-04-24 EP claimed
WO-1995001978-A1 PROCESS FOR THIOPYRANS RHONE-POULENC RORER LIMITED (GB) 1995-01-19 WO claimed
JP-6157459-A None JP disclosed
US-5780636-A Process for thiopyrans RHONE-POULENC RORER LIMITED (GB) 1998-07-14 US disclosed
EP-0707583-B1 PROCESS FOR THE PREPARATION OF THIOPYRANS RHONE POULENC RORER LTD (GB) 1998-05-20 EP disclosed
US-5688954-A Process for the preparation of substituted thiopyran-1-oxides RHONE-POULENC RORER LIMITED (GB) 1997-11-18 US disclosed
US-5688954-A Process for the preparation of substituted thiopyran-1-oxides RHONE-POULENC RORER LIMITED (GB) 1997-11-18 US disclosed
EP-0725781-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIOPYRAN-1-OXIDES RHONE-POULENC RORER LIMITED (GB) 1996-08-14 EP disclosed
EP-0725781-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED THIOPYRAN-1-OXIDES RHONE-POULENC RORER LIMITED (GB) 1996-08-14 EP disclosed
EP-0707583-A1 PROCESS FOR THE PREPARATION OF THIOPYRANS RHONE-POULENC RORER LIMITED (GB) 1996-04-24 EP disclosed
JP-H06157459-A PRODUCTION OF PYRIDYL KETO-ALCOHOL EEZAI KAGAKU KK 1994-06-03 JP disclosed
US-5229385-A Thromboxane A2 and lipoxygenase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-20 US disclosed
US-5120852-A Contacting an alkyl isothiocyanate with an anionized sulfoxide RHONE-POULENC SANTE (FR) 1992-06-09 US disclosed
US-5106858-A For disfunction of heart, brain, lung or kidney TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-21 US disclosed
EP-0234729-B1 QUINONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1991-12-27 EP disclosed
US-4985447-A USEFUL FOR TREATMENT AND PREVENTION OF DISEASES DUE TO DYSFUNCTION OF HEART, BRAIN, LUNG AND KIDNEY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-01-15 US disclosed
US-4851413-A TREATMENT OF HEART, BRAIN, LUNG OR KIDNEY DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0234729-A2 Quinone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-02 EP disclosed