SCHEMBL4654355

SCHEMBL4654355

CC(=O)CC(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.68
GAA P10253 4/20 0.61
ALDH1A1 P00352 4/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 2/20 0.57
MAPK1 P28482 1/20 0.56
HPGD P15428 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL31570067 1.00 POLB (0.68) POLBGAAALDH1A1KMT2AKDM4E
SCHEMBL5142574 0.90 POLB (0.76) POLBGAAALDH1A1KMT2AKDM4E
SCHEMBL28945800 0.88 POLB (0.58) POLBGAAALDH1A1KMT2AKDM4E
SCHEMBL14817539 0.85 POLB (0.66) POLBGAAALDH1A1KMT2AKDM4E
SCHEMBL307600 0.85 POLB (0.74) POLBGAAALDH1A1KMT2AKDM4E
SCHEMBL4778269 0.85 POLB (0.65) POLBGAAALDH1A1KMT2AKDM4E
SCHEMBL31690894 0.85 POLB (0.74) POLBGAAALDH1A1KMT2AKDM4E
SCHEMBL2605849 0.84 POLB (0.64) POLBGAAALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL6559022 0.83 POLB (0.63) POLBGAAALDH1A1KMT2AKDM4E
SCHEMBL17028020 0.83 POLB (0.68) POLBGAAALDH1A1KMT2AKDM4E

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-101817797-B Synthesizing method of high-purity 3-methyl-N-[4-(trifluoromethyl) phenyl]-4-isoxazol formamide JIANGSU YABANG AIPUSEN PHARMACEUTICAL CO LTD 2013-04-10 CN disclosed
EP-1996567-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2008-12-03 EP disclosed
WO-2007095601-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 WO disclosed
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 US disclosed