SCHEMBL8464246

SCHEMBL8464246

C=C(CC)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NAAA Q02083 1/20 0.34
SHBG P04278 1/20 0.33
MGLL Q99685 1/20 0.33
EPHX2 P34913 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 3/20 0.31
EPHX1 P07099 1/20 0.31
RECQL P46063 1/20 0.31
CYP3A4 P08684 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL11789835 0.97
SCHEMBL11150501 0.92
SCHEMBL28089597 0.89 CYP1A2 (0.35) CES2CES1HSD11B1ALDH1A1NAAA
SCHEMBL4836929 0.89
SCHEMBL4488617 0.80 NAAA (0.36) CES2CES1HSD11B1ALDH1A1NAAA
SCHEMBL30835525 0.77 NAAA (0.42) NAAAEPHX2CYP1A2EPHX1
SCHEMBL3605682 0.76 CES2 (0.39) CES2CES1ALDH1A1MGLLHDAC8
SCHEMBL30835526 0.75 NAAA (0.44) NAAAEPHX2CYP1A2EPHX1L3MBTL1
SCHEMBL23547192 0.74 CES2 (0.38) CES2CES1ALDH1A1MGLLHDAC8
SCHEMBL11210860 0.74 CES2 (0.38) CES2CES1ALDH1A1MGLLHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4614816-A Preparation of carboxylic acids and esters thereof BP CHEMICALS LIMITED (GB) 1986-09-30 US claimed
US-20230241597-A1 PLATFORM FOR THE RECOVERY OF TRANSITION METAL CATALYSTS TEXAS TECH UNIVERSITY SYSTEM 2023-08-03 US disclosed
WO-2023072794-A1 PIPERAZINYLSULFONYLARYL COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-05-04 WO disclosed
WO-2023061617-A1 SULFONYLPIPERAZINYL COMPOUNDS FOR TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 WO disclosed
WO-2020061112-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 WO disclosed
WO-2017133657-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
WO-2017133670-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 WO disclosed
EP-2731989-B1 HETEROPHASIC POLYPROPYLENE WITH LOW CLTE AND HIGH STIFFNESS BOREALIS AG (AT) 2015-06-17 EP disclosed
EP-2731989-A1 HETEROPHASIC POLYPROPYLENE WITH LOW CLTE AND HIGH STIFFNESS Borealis AG (AT) 2014-05-21 EP disclosed
WO-2013010877-A1 HETEROPHASIC POLYPROPYLENE WITH LOW CLTE AND HIGH STIFFNESS BOREALIS AG (AT) 2013-01-24 WO disclosed
EP-0106656-B1 PREPARATION OF CARBOXYLIC ACIDS AND ESTERS THEREOF BP Chemicals Limited (GB) 1986-09-17 EP disclosed
US-4558153-A Preparation of carboxylic acids and esters BP CHEMICALS LIMITED (GB) 1985-12-10 US disclosed
EP-0096974-B1 PROCESS FOR THE PRODUCTION OF ONE OR MORE CARBOXYLIC ACID ANHYDRIDES BP Chemicals Limited (GB) 1985-09-11 EP disclosed
EP-0140673-A2 Preparation of carboxylic acids and esters BP Chemicals Limited (GB) 1985-05-08 EP disclosed
EP-0106656-A1 Preparation of carboxylic acids and esters thereof BP Chemicals Limited (GB) 1984-04-25 EP disclosed
EP-0096974-A1 Process for the production of one or more carboxylic acid anhydrides BP Chemicals Limited (GB) 1983-12-28 EP disclosed
US-4405757-A Macromolecular complexes of amidocarbonylic water-soluble polymers and square planar platinous and equivalent organometallics HOWELL BOBBY A 1983-09-20 US disclosed
US-4132734-A REACTION OF AN ETHYLENICALLY UNSATURATED COMPOUND, CARBON MONOXIDE AND H2O IN THE PRESENCE OF A COMPOUND OF RH OR IR, A HALOGEN PROMOTER AND A COMPOUND OF FG, MN, OR COBALT MONSANTO COMPANY (US) 1979-01-02 US disclosed
US-4000170-A FROM OLEFINS, CARBON MONOXIDE AND H2 MONSANTO COMPANY (US) 1976-12-28 US disclosed
US-3989751-A COBALT OR NICKEL CATALYST MONSANTO COMPANY (US) 1976-11-02 US disclosed