SCHEMBL9762672

SCHEMBL9762672

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 3/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35

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
SCHEMBL19860763 0.86 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL460924 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL13783655 0.83 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
Hydrogen Sulfide SCHEMBL28295812 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL28949902 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL36167 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL18912737 0.80 CYP2C19 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
Bicarbonate SCHEMBL9854206 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL22768279 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL21728885 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349539-B2 Photosensitive polymides ETERNAL CHEMICAL CO., LTD. (TW) 2013-01-08 US disclosed
US-20100086874-A1 Photosensitive polymides ETERNAL CHEMICAL CO., LTD. (TW) 2010-04-08 US disclosed
US-5003000-A Hydrophobically associating polymers containing dimethyl acrylamide functionality EXXON RESEARCH & ENGINEERING COMPANY (US) 1991-03-26 US disclosed
US-4997878-A Acrylamide polymers EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-03-05 US disclosed
US-4981935-A THICKENERS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-01-01 US disclosed