SCHEMBL8655548

SCHEMBL8655548

COC(=O)C1(NC(=O)C(C)c2ccc(Cl)cc2)CCC(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 2/20 0.38
FFAR2 O15552 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL8653787 0.90 GAA (0.38) GAAHPGDSMN1; SMN2P2RX7FFAR2
SCHEMBL8652033 0.89 GAA (0.37) GAAHPGDSMN1; SMN2P2RX7FFAR2
SCHEMBL7950117 0.88 POLB (0.42) GAAHPGDTRPV1
SCHEMBL6482338 0.88 UTS2R (0.40) GAAHPGDSMN1; SMN2SLC6A2SLC6A4
SCHEMBL8654465 0.88 GAA (0.39) GAAHPGDSMN1; SMN2P2RX7FFAR2
SCHEMBL8657265 0.87 P2RX7 (0.36) GAAHPGDSMN1; SMN2P2RX7FFAR2
SCHEMBL8886135 0.87 P2RX7 (0.38) GAAHPGDSMN1; SMN2P2RX7FFAR2
SCHEMBL8655540 0.87 P2RX7 (0.36) GAAHPGDSMN1; SMN2P2RX7FFAR2
SCHEMBL8651348 0.86 GAA (0.38) GAAHPGDSMN1; SMN2P2RX7FFAR2
SCHEMBL8653795 0.81 GAA (0.38) GAAHPGDSMN1; SMN2P2RX7FFAR2

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