SCHEMBL8047749

SCHEMBL8047749

CSc1cc(C(F)(F)F)ccc1C(=O)CC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
SLC6A9 P48067 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CFTR P13569 1/20 0.38
GAA P10253 1/20 0.38
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
DDR1 Q08345 1/20 0.36
PIK3CA P42336 1/20 0.35
PTPN1 P18031 1/20 0.34
GSK3B P49841 1/20 0.34
SORT1 Q99523 4/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL28813587 0.81 LIPG (0.43) CES2SLC6A9ALDH1A1KDM4EHPGD
SCHEMBL28095379 0.80 CES2 (0.49) CES2SLC6A9ALDH1A1KDM4EHPGD
SCHEMBL8490842 0.79 CYP2C19 (0.42) CES2SLC6A9ALDH1A1KDM4EHPGD
SCHEMBL427104 0.79 ALDH1A1 (0.57) CES2SLC6A9ALDH1A1KDM4EHPGD
SCHEMBL6751351 0.79 CES2 (0.47) CES2SLC6A9ALDH1A1KDM4EHPGD
SCHEMBL29683463 0.79 CES2 (0.47) CES2SLC6A9ALDH1A1KDM4EHPGD
SCHEMBL2325301 0.77 KDM4E (0.47) CES2SLC6A9ALDH1A1KDM4EHPGD
SCHEMBL3028484 0.77 CES2 (0.46) CES2SLC6A9ALDH1A1KDM4EHPGD
SCHEMBL6751338 0.76 SLC6A9 (0.41) CES2SLC6A9ALDH1A1KDM4EHPGD
SCHEMBL29391001 0.76 SLC6A9 (0.41) CES2SLC6A9ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994840-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-3-CYCLOPROPYL-1,3-PROPANEDIONES Rhone Poulenc Agro (FR) 2000-04-26 EP disclosed
WO-1999002476-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-3-CYCLOPROPYL-1,3-PROPANEDIONES RHONE POULENC AGRO (FR) 1999-01-21 WO disclosed
EP-0880498-A2 PROCESS FOR PREPARING DIKETONE COMPOUNDS RHONE-POULENC AGROCHIMIE (FR) 1998-12-02 EP disclosed
WO-1997028122-A2 PROCESS FOR PREPARING DIKETONE COMPOUNDS RHONE-POULENC AGROCHIMIE (FR) 1997-08-07 WO disclosed