SCHEMBL8494381

SCHEMBL8494381

CC(C)OC(=O)C1C(Cl)=C(C2CC2)ON1C(=O)c1ccccc1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
EED O75530 1/20 0.35
POLB P06746 1/20 0.34
BCAT2 O15382 1/20 0.33
HRH1 P35367 2/20 0.33
CCR3 P51677 2/20 0.33
CACNA1B Q00975 2/20 0.32
SLC9A1 P19634 1/20 0.32
MGLL Q99685 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL8489111 0.86 CACNA1B (0.38) LMNAEEDPOLBBCAT2CACNA1B
SCHEMBL8495604 0.79 POLB (0.36) LMNAEEDPOLBBCAT2HRH1
SCHEMBL8489221 0.76 SLC9A1 (0.40) LMNAEEDHRH1CCR3CACNA1B
SCHEMBL8606607 0.71 LMNA (0.43) LMNAEEDBCAT2HRH1CCR3
SCHEMBL8606545 0.69 LMNA (0.40) LMNAEEDBCAT2CACNA1BSLC9A1
SCHEMBL8607785 0.65 LMNA (0.37) LMNAEEDPOLBBCAT2HRH1
SCHEMBL8608675 0.65 LMNA (0.38) LMNAEEDBCAT2HRH1CCR3
SCHEMBL8388424 0.64 MGLL (0.42) LMNAPOLBMGLL
SCHEMBL8608708 0.63 LMNA (0.38) LMNAEEDBCAT2CACNA1BSLC9A1
SCHEMBL8762938 0.62 LMNA (0.38) LMNAEEDBCAT2CACNA1BSLC9A1

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 2 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