SCHEMBL8655540

SCHEMBL8655540

COC(=O)C1(NC(=O)C(C)c2ccc(Cl)cc2)CCC(C)C(C)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR2 O15552 2/20 0.36
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HSD11B1 P28845 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
SCHEMBL7961516 0.89 GPR88 (0.40) GAASMN1; SMN2HSD11B1
SCHEMBL6474509 0.89 UTS2R (0.38) GAAHPGDSMN1; SMN2SLC6A2SLC6A4
SCHEMBL8657729 0.88 GAA (0.37) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8655548 0.87 GAA (0.38) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8651348 0.85 GAA (0.38) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8653787 0.85 GAA (0.38) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8652033 0.84 GAA (0.37) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8886135 0.82 P2RX7 (0.38) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8657265 0.82 P2RX7 (0.36) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8650851 0.80 ADRA1D (0.34)

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-5847211-A Substituted 1H-3-Aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5622917-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed