SCHEMBL8079781

SCHEMBL8079781

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 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
SCHEMBL4793531 0.82 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL2770265 0.79 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL28832755 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL9215742 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6572407 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL8941491 0.75 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL736116 0.73 MEN1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Trimethylammonium SCHEMBL28073443 0.73 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL25269003 0.72 MEN1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL11139937 0.72 TGFBR1 (0.32) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108713242-A The grinding method and composition for polishing set group of silicon substrate 福吉米株式会社 2018-10-26 CN disclosed
EP-1034218-A1 SCRUB RESISTANT LATEXES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-09-13 EP disclosed
WO-1999018157-A1 SCRUB RESISTANT LATEXES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-04-15 WO disclosed
US-5739196-A CONTAINING ACID OR ANHYDRIDE FUNCTIONAL GROUP; PAINTS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US disclosed
US-5674668-A Photographic recording material AGFA-GEVAERT (DE) 1997-10-07 US disclosed
CN-1031381-A Electrically conductive plastic moldings and preparation method thereof SUMITOMO CHEMICAL CO (JP) 1989-03-01 CN disclosed