SCHEMBL278213

SCHEMBL278213

CCCC(C)[N+](C)(C)C(C)(C(=O)[O-])C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
NFKB1 P19838 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
BBOX1 O75936 1/20 0.36
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 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
Acrylamide SCHEMBL2879989 0.88 ALDH1A1 (0.31) TSHR
SCHEMBL3823555 0.87 CA2 (0.45) CA1CA2
SCHEMBL7718260 0.87 CA2 (0.45) CA1CA2
SCHEMBL3827255 0.87 CA2 (0.45) CA1CA2
SCHEMBL9057273 0.79 BBOX1 (0.35) TSHRBBOX1CA2
Acetic Acid SCHEMBL6314424 0.78 CYP3A4 (0.33) TSHRCYP3A4NFKB1NPSR1BBOX1
SCHEMBL3338797 0.78 TSHR (0.33) TSHRCYP3A4NFKB1NPSR1BBOX1
SCHEMBL278738 0.76 BBOX1 (0.33) BBOX1
SCHEMBL8347756 0.73
SCHEMBL3477943 0.73 ALDH1A1 (0.35) NPSR1BBOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4310151-A1 AQUEOUS DISPERSION OF SILICONE RUBBER PARTICLES, AND COSMETIC PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-24 EP disclosed
US-10434685-B2 Release agent for tire bladder, tire bladder, and pneumatic tire SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-10-08 US disclosed
EP-3260262-B1 RELEASE AGENT FOR TIRE BLADDER, TIRE BLADDER, AND MOLDING OF PNEUMATIC TIRE SHINETSU CHEMICAL CO (JP) 2019-07-03 EP disclosed
CN-108884230-A Organic silicon particle and its manufacturing method 信越化学工业株式会社 2018-11-23 CN disclosed
EP-2130883-B1 Aqueous coating agent for rubber, and rubber article coated with cured film of aqueous coating agent SHINETSU CHEMICAL CO (JP) 2018-10-17 EP disclosed
EP-2813210-B1 Silicone elastomer particle and an aqueous dispersion comprising the same SHINETSU CHEMICAL CO (JP) 2018-09-12 EP disclosed
EP-2182022-B1 Silicone microparticles comprising silicone elastomer spherical microparticles coated with polyorganosilesquioxane, and method of producing same SHINETSU CHEMICAL CO (JP) 2018-09-05 EP disclosed
CN-104140684-B Silicone elastomer particle, the aqueous dispersions containing the silicone elastomer particle and its manufacturing method and cosmetic preparation 信越化学工业株式会社 2018-07-03 CN disclosed
EP-2357024-B1 Cosmetic composition comprising silicone microparticles SHINETSU CHEMICAL CO (JP) 2018-02-21 EP disclosed
EP-2356969-B1 Cosmetic composition comprising silicon microparticles SHINETSU CHEMICAL CO (JP) 2018-02-21 EP disclosed
EP-2182023-A1 Silicone microparticles comprising silicone elastomer spherical microparticles coated with polyorganosilsesquioxane, and method of producing same Shin-Etsu Chemical Co., Ltd. (JP) 2010-05-05 EP disclosed
EP-2182022-A1 Silicone microparticles comprising silicone elastomer spherical microparticles coated with polyorganosilesquioxane, and method of producing same Shin-Etsu Chemical Co., Ltd. (JP) 2010-05-05 EP disclosed
EP-2130883-A2 Aqueous coating agent for rubber, and rubber article coated with cured film of aqueous coating agent Shin-Etsu Chemical Co., Ltd. (JP) 2009-12-09 EP disclosed
US-7531241-B2 Coating agent SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-05-12 US disclosed
CN-101160383-A Additive for high concentration anionic surfactant KAO CORP (JP) 2008-04-09 CN disclosed
US-20070203316-A1 FILM-FORMING SILICONE EMULSION COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-08-30 US disclosed
US-20070059538-A1 Coating agent SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-03-15 US disclosed
EP-1762603-A2 Coating agent Shin-Etsu Chemical Co., Ltd. (JP) 2007-03-14 EP disclosed
CN-1927972-A Coating agent SHINETSU CHEMICAL CO (JP) 2007-03-14 CN disclosed
CN-1759168-A Cleaning agent composition KAO CORP (JP) 2006-04-12 CN disclosed