SCHEMBL9192554

SCHEMBL9192554

CCCCC(CC)COC(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 7/20 0.48
CA2 P00918 3/20 0.42
RECQL P46063 1/20 0.40
LMNA P02545 2/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL10498330 0.92 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM
Ethylene Glycol SCHEMBL10498005 0.92 ALDH1A1 (0.52) CYP3A4L3MBTL1TSHRTDP1ATM
Propylene Glycol SCHEMBL10498386 0.89 ALDH1A1 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL2818214 0.86 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
Di(Hydroxyethyl)Ether SCHEMBL10498163 0.86 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL12242147 0.84 CYP3A4 (0.52) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL8217857 0.84 CYP3A4 (0.55) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL15159150 0.84 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL15159091 0.84 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL6683323 0.83 CYP3A4 (0.50) CYP3A4L3MBTL1TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713361-B2 Hydrogenation catalyst compositions and their use for hydrogenation of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2023-08-01 US disclosed
US-11312791-B2 Hydrogenation of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2022-04-26 US disclosed
US-11203679-B2 Use of ruthenium and osmium catalysts for the metathesis of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2021-12-21 US disclosed
US-20210292442-A1 HYDROGENATION OF NITRILE RUBBER ARLANXEO DEUTSCHLAND GMBH (DE) 2021-09-23 US disclosed
US-11046799-B2 Hydrogenated nitrile-butadiene-PEG-acrylate co-polymers ARLANXEO DEUTSCHLAND GMBH (DE) 2021-06-29 US disclosed
US-20210179825-A1 USE OF VULCANISATES COMPRISING HNBR-PEG ACRYLATE COPOLYMER IN CONTACT WITH COOLANT ARLANXEO DEUTSCHLAND GMBH (DE) 2021-06-17 US disclosed
US-20210130590-A1 USE OF RUTHENIUM AND OSMIUM CATALYSTS FOR THE METATHESIS OF NITRILE RUBBER ARLANXEO DEUTSCHLAND GMBH (DE) 2021-05-06 US disclosed
US-10745778-B2 Leaching aids and methods of using leaching aids BASF SE (DE) 2020-08-18 US disclosed
US-20190031804-A1 HYDROGENATED NITRILE-BUTADIENE-PEC-ACRYLATE CO-POLYMERS ARLANXEO DEUTSCHLAND GMBH (DE) 2019-01-31 US disclosed
US-20170159153-A1 LEACHING AIDS AND METHODS OF USING LEACHING AIDS BASF CORPORATION 2017-06-08 US disclosed
US-20110155976-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2011-06-30 US disclosed
US-20110155976-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2011-06-30 US disclosed
EP-0414640-B1 Iminosilanes CIBA GEIGY AG (CH) 1995-11-15 EP disclosed
US-5134234-A Curable compositions for adhesives, coverings and coatings CIBA-GEIGY CORPORATION (US) 1992-07-28 US disclosed
EP-0414640-A2 Iminosilanes CIBA-GEIGY AG (CH) 1991-02-27 EP disclosed
EP-0334956-A1 HEMOLYSIS INHIBITOR AND MEDICAL RESIN COMPOSITION, MEDICAL IMPLEMENT, AND BLOOD-PRESERVING FLUID CONTAINING THE SAME Kao Corporation (JP) 1989-10-04 EP disclosed