SCHEMBL8657265

SCHEMBL8657265

CCC1CCC(NC(=O)C(C)c2ccc(Cl)cc2)(C(=O)OC)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

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
KDM4E B2RXH2 1/20 0.35
ACACB O00763 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL6474875 0.89 UTS2R (0.40) SMN1; SMN2SLC6A2SLC6A4SLC6A3TP53
SCHEMBL7958038 0.89 GPR88 (0.42) GAASLC6A4
SCHEMBL8655615 0.88 GAA (0.37) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8655548 0.87 GAA (0.38) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8653787 0.87 GAA (0.38) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8652033 0.86 GAA (0.37) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8886135 0.84 P2RX7 (0.38) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8655540 0.82 P2RX7 (0.36) P2RX7GAAHPGDSMN1; SMN2FFAR2
SCHEMBL8650624 0.80 ADRA1D (0.36) SMN1; SMN2
SCHEMBL7960895 0.80 GPR88 (0.45) GAASLC6A4

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