SCHEMBL8491925

SCHEMBL8491925

COCCOC1C(C(=O)c2ccccc2S(C)(=O)=O)=C(C2CC2)ON1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.34
BCAT2 O15382 1/20 0.34
EED O75530 1/20 0.34
HRH1 P35367 2/20 0.33
CCR3 P51677 2/20 0.33
CNR2 P34972 1/20 0.32
NAMPT P43490 1/20 0.31
SLC9A1 P19634 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HCRTR2 O43614 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
SCHEMBL8491954 0.88 LMNA (0.36) LMNATSHRBCAT2EEDHRH1
SCHEMBL8607785 0.87 LMNA (0.37) LMNABCAT2EEDHRH1CCR3
SCHEMBL8491655 0.85 TSHR (0.37) LMNATSHRBCAT2EEDHRH1
SCHEMBL8491543 0.83 TSHR (0.35) LMNATSHRBCAT2EEDHRH1
SCHEMBL8495604 0.76 POLB (0.36) LMNABCAT2EEDHRH1CCR3
SCHEMBL8489172 0.75 TSHR (0.37) LMNATSHRBCAT2EEDKDM4E
SCHEMBL8684225 0.73 TSHR (0.33) LMNATSHRBCAT2EEDCNR2
SCHEMBL8608675 0.72 LMNA (0.38) LMNABCAT2EEDHRH1CCR3
SCHEMBL8762938 0.71 LMNA (0.38) LMNATSHRBCAT2EEDSLC9A1
SCHEMBL8491927 0.69 TSHR (0.34) TSHRCNR2

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