SCHEMBL8488251

SCHEMBL8488251

CCO/C=C(\C(=O)c1ccc(Cl)c(Cl)c1Cl)C(=O)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.35
SLC6A2 P23975 6/20 0.35
ALDH1A1 P00352 5/20 0.33
LMNA P02545 4/20 0.33
TSHR P16473 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ABCC3 O15438 1/20 0.33
PLIN1 O60240 1/20 0.33
TP53 P04637 1/20 0.33
GSTA1 P08263 1/20 0.33
GSTP1 P09211 1/20 0.33
MAPT P10636 1/20 0.33
HSPD1 P10809 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
MAP2K6 P52564 1/20 0.33
HSPE1 P61604 1/20 0.33
GSTO1 P78417 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
SCHEMBL8488252 1.00 SLC6A4 (0.35) SLC6A4SLC6A2ALDH1A1LMNATSHR
SCHEMBL8489098 0.85 ALDH1A1 (0.34) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL8489094 0.85 ALDH1A1 (0.34) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL8491834 0.84 KMT2A (0.39) SLC6A4SLC6A2ALDH1A1LMNATSHR
SCHEMBL8491832 0.84 KMT2A (0.39) SLC6A4SLC6A2ALDH1A1LMNATSHR
SCHEMBL7558320 0.84 NLRP3 (0.39) SLC6A4SLC6A2ALDH1A1LMNATSHR
SCHEMBL8388430 0.83 MAPT (0.33) ALDH1A1MAPTTDP1
SCHEMBL7558324 0.83 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL7557083 0.83 SLC6A4 (0.35) SLC6A4SLC6A2ALDH1A1LMNATSHR
SCHEMBL7550800 0.82 SLC6A4 (0.35) SLC6A4SLC6A2ALDH1A1LMNATSHR

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
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed