SCHEMBL4793531

SCHEMBL4793531

C=CC(=O)NC(C)(C)C(C)(C)CC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8079781 0.82 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL1907643 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL460924 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4909167 0.78 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL17350190 0.77 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL28949902 0.77 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Hydrogen Sulfide SCHEMBL28295812 0.77 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8766001 0.76 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9752701 0.75 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL8772020 0.75 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720892-A Diluted cationic friction reducer 能源解决方案(美国)有限责任公司 2024-03-19 CN disclosed
CN-115162044-B Method for producing paper or board 索理思科技开曼公司 2024-02-23 CN disclosed
CN-116867460-A Integrated time indication device during topical skin application 开尔弗森2200有限公司 2023-10-10 CN disclosed
CN-113039224-B Method for producing paper or board 索理思科技开曼公司 2023-04-28 CN disclosed
CN-113039223-B Method for hydrolyzing polymer 索理思科技开曼公司(KY) 2023-01-13 CN disclosed
CN-109803631-B Oral care compositions 联合利华知识产权控股有限公司 2022-12-27 CN disclosed
CN-111511986-B Method for producing paper or paperboard 索理思科技开曼公司 2022-11-11 CN disclosed
CN-109803631-A Oral care compositions 荷兰联合利华有限公司 2019-05-24 CN disclosed
EP-1924241-A1 CULTURES PEARLS POWDERED IN A COSMETIC AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-28 EP disclosed
WO-2007031168-A1 CULTURES PEARLS POWDERED IN A COSMETIC AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-22 WO disclosed
WO-2007025750-A1 AGENTS FOR THE TREATMENT OF KERATIN FIBRES CONTAINING NANOSCALE CALCIUM SALTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-08 WO disclosed