SCHEMBL8495604

SCHEMBL8495604

CC(C)OC(=O)C1C(C(=O)c2ccccc2S(C)(=O)=O)=C(C2CC2)ON1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
BCAT2 O15382 1/20 0.34
LMNA P02545 3/20 0.34
EED O75530 1/20 0.32
HRH1 P35367 1/20 0.31
CCR3 P51677 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
DPP4 P27487 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
SLC9A1 P19634 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL8607785 0.81 LMNA (0.37) POLBBCAT2LMNAEEDHRH1
SCHEMBL8494381 0.79 LMNA (0.37) POLBBCAT2LMNAEEDHRH1
SCHEMBL8489111 0.75 CACNA1B (0.38) POLBBCAT2LMNAEEDDPP4
SCHEMBL8762938 0.73 LMNA (0.38) BCAT2LMNAEEDSLC9A1ALDH1A1
SCHEMBL8608675 0.72 LMNA (0.38) BCAT2LMNAEEDHRH1CCR3
SCHEMBL8488843 0.72 BCAT2 (0.39) POLBBCAT2LMNAEEDHRH1
SCHEMBL8491954 0.68 LMNA (0.36) BCAT2LMNAEEDHRH1CCR3
SCHEMBL8608708 0.68 LMNA (0.38) BCAT2LMNAEEDDPP4DPP7
SCHEMBL8606607 0.66 LMNA (0.43) BCAT2LMNAEEDHRH1CCR3
SCHEMBL8493737 0.65 CDK7 (0.35)

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