SCHEMBL1829503

SCHEMBL1829503

Cc1cccc(N2CCCC(C)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
HSD11B1 P28845 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
ALOX5 P09917 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.43
NOTUM Q6P988 1/20 0.43
HSP90AA1 P07900 1/20 0.42
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL1829366 0.91 HSD11B1 (0.53) KMT2AHSD11B1L3MBTL1DRD2DRD3
SCHEMBL8224932 0.84 ALDH1A1 (0.47) KMT2AL3MBTL1DRD2DRD3ALDH1A1
SCHEMBL20329795 0.82 KMT2A (0.47) KMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL4791124 0.82 KMT2A (0.47) KMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL29086034 0.79 KMT2A (0.47) KMT2AHSD11B1L3MBTL1DRD2DRD3
SCHEMBL17779651 0.78 MEN1 (0.46) KMT2AL3MBTL1NPC1ALDH1A1
SCHEMBL14275593 0.77 HSD11B1 (0.52) KMT2AHSD11B1L3MBTL1DRD2DRD3
SCHEMBL12099243 0.77 HSD11B1 (0.52) KMT2AHSD11B1L3MBTL1DRD2DRD3
SCHEMBL11870004 0.76 SLC6A2 (0.64) ALDH1A1
SCHEMBL25078426 0.74 HSD11B1 (0.47) KMT2AHSD11B1L3MBTL1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10072138-B2 Rubber composition for use in tire treads THE YOKOHAMA RUBBER CO., LTD (JP) 2018-09-11 US disclosed
US-9567451-B2 Rubber composition for use in tire treads THE YOKOHAMA RUBBER CO., LTD. (JP) 2017-02-14 US disclosed
US-9493638-B2 Rubber composition for tire THE YOKOHAMA RUBBER CO., LTD. (JP) 2016-11-15 US disclosed
US-9493629-B2 Modified butadiene-based polymer composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-11-15 US disclosed
US-9475924-B2 Rubber composition for tire tread and pneumatic tire using the same THE YOKOHAMA RUBBER CO., LTD. (JP) 2016-10-25 US disclosed
US-9416252-B2 Rubber composition for tire tread THE YOKOHAMA RUBBER CO., LTD. (JP) 2016-08-16 US disclosed
US-9139721-B2 Rubber composition for tire treads THE YOKOHAMA RUBBER CO., LTD. (JP) 2015-09-22 US disclosed
US-20150126643-A1 Rubber Composition for Tire THE YOKOHAMA RUBBER CO., LTD. (JP) 2015-05-07 US disclosed
US-20150031791-A1 Rubber Composition for Tire Treads THE YOKOHAMA RUBBER CO., LTD. (JP) 2015-01-29 US disclosed
US-20130338255-A1 RUBBER COMPOSITION FOR TIRE TREAD THE YOKOHAMA RUBBER CO., LTD. (JP) 2013-12-19 US disclosed
US-6200718-B1 A POLYMERIZED TONER OF CORE-SHELL STRUCTURE, COMPRISING CORE PARTICLES COMPOSED OF COLORED POLYMER PARTICLES WHICH CONTAIN A COMPOUND HAVING >C=N+ STRUCTURE IN ITS MOLECULE AND A COLORANT AND A LAYER OF POLYMER COVERING CORE PARTICLES NIPPON ZEON CO., LTD. (JP) 2001-03-13 US disclosed
EP-0947888-A1 POLYMER TONER AND METHOD OF PRODUCTION THEREOF NIPPON ZEON CO., LTD. (JP) 1999-10-06 EP disclosed
US-5962575-A KNEADING; CONTROLLING CONCENTRATION THE YOKOHAMA RUBBER CO., LTD. (JP) 1999-10-05 US disclosed
EP-0831124-A1 CARBON BLACK FILLED RUBBER COMPOSITIONS THE YOKOHAMA RUBBER CO., LTD. (JP) 1998-03-25 EP disclosed
EP-0438248-B1 Preparation process of toner NIPPON ZEON CO (JP) 1996-07-24 EP disclosed
US-5248736-A Reacting end groups of conjugated diene polymer with carbon dioxide or carbon disulfide and then with pyrrolidone NIPPON ZEON CO., LTD. (JP) 1993-09-28 US disclosed
US-5217839-A Dispersion containing mixture of a polymer with a carbon nitrogen double bond and a colorant in a vinyl monomer NIPPON ZEON CO., LTD. (JP) 1993-06-08 US disclosed
US-5218023-A Anionic polymers NIPPON ZEON CO., LTD. (JP) 1993-06-08 US disclosed
US-5216080-A Butadiene-styrene copolymers endcapped with N-modified amino ketones, thioamino ketones, thioamino aldehydes, lactams, thiolactams, ethyleneurea and thioethylene urea; wear resistant, large-sized tires NIPPON ZEON CO., LTD. (JP) 1993-06-01 US disclosed
EP-0438248-A2 Preparation process of toner NIPPON ZEON CO., LTD. (JP) 1991-07-24 EP disclosed